Month: April 2022

So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Berthold, Dino; Breit, Bernhard researched the compound: 1-Iodo-2-methylbutane( cas:616-14-8 ).Computed Properties of C5H11I.They published the article 《Total Synthesis of (-)-Cylindrocyclophane F: A Yardstick for Probing New Catalytic C-C Bond-Forming Methodologies》 about this compound( cas:616-14-8 ) in Chemistry – A European Journal. Keywords: cylindrocyclophane F synthesis; C-allylation; Negishi coupling; cylindrocyclophane F; lactic acid; metathesis; total synthesis. We’ll tell you more about this compound (cas:616-14-8).

A short and efficient total synthesis of the C2-sym. (-)-cylindrocyclophane F is presented, using a cross olefin metathesis dimerization strategy for construction of the [7,7]-paracyclophane macrocycle. The synthesis of the dimerization building block includes a Pd-catalyzed sp3-sp2 Negishi cross coupling of a sterically hindered Zn-reagent with an aromatic triflate, an enantiospecific Zn-catalyzed sp3-sp3 cross coupling of an α-hydroxy ester triflate with a Grignard reagent and the application of an enantioselective Rh-catalyzed C-allylation of an electron rich arene.

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Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《The infrared spectrum of the formate ion》. Authors are Schutte, C. J. H.; Buijs, K..The article about the compound:1-Iodo-2-methylbutanecas:616-14-8,SMILESS:CCC(CI)C).Related Products of 616-14-8. Through the article, more information about this compound (cas:616-14-8) is conveyed.

The infrared spectra of anhydrous Ca(HCO2)2, Sr(HCO2)2, Ba(HCO2)2, and Pb(HCO2)2 show clearly the doubling of the fundamental bands of the formate ion owing to the existence of non-equivalent ions in the lattice. A new tetragonal phase of Ca(HCO2)2 precipitate when an organic solvent is added to an aqueous solution of Ca(HCO2)2. The new β phase belongs to space group D44-P412121, α = 9.46 A., c = 6.77 A., with 4 mols. per unit cell. The absorption bands for the β phase are single, in accordance with the crystallographic symmetry.

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Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Secondary to normal alkyl group rearrangements in octahedral iridium(III) complexes. 1. Monoalkyl derivatives, published in 1986, which mentions a compound: 616-14-8, mainly applied to alkyl group isomerization iridium complex; solvent effect alkyl isomerization; substituent effect alkyl isomerization; steric hindrance alkyl isomerization, Recommanded Product: 616-14-8.

sec-Alkyliridium(III) complexes IrYIR(CO)L2 (R = sec-alkyl; Y = Cl, I; L = PMe3, PMe2Ph), formed by oxidative addition of sec-alkyl iodides to IrY(CO)L2, rearrange cleanly by a first-order process to the n-alkyl isomers on dissolution in CH2Cl2 containing protic solvents. The order of efficacy of these solvents in promoting alkyl group rearrangement is CF3CO2H >> CH3OH >> C2H5OH > CH3CO2H ∼ PrOH > (CH3)2CHOH, while in the more strongly coordinating medium of THF the order is H2O >> CH3OH. These orders correlate with the anion-solvating ability of the solvents and, together with the observed retardation by added iodide ion, suggest that the rate-determining step in the rearrangement is dissociation of iodide ion trans to the sec-alkyl group. Rapid, reversible β-hydride elimination in the resulting cation and stereospecific return of iodide ion trans to the resulting n-alkyl group complete the process. The rearrangement is promoted by increasing bulk, both of the alkyl group, up to a certain limit, and of the tertiary phosphine (PMe2Ph > PMe3). Treatment of IrClI{CH(CH3)2}(CO)(PMe2Ph)2 with AgBF4 in MeCN induces immediate alkyl group rearrangement to give the n-propyliridium(III) salt [IrClPr(CO)(NCMe)(PMe2Ph)2]BF4. Studies of analogous CD2CH3 compounds suggest that they, and presumably other n-alkyliridium(III) complexes, undergo reversible β-hydride elimination more slowly than the sec-alkyl complexes. The D labels in the isobutyl-d2 complex IrClI{CD2CH(CH3)2}(CO)(PMe3)2 scramble over all the alkyl C atoms when the compound is heated in CD2Cl2/CD3OD, indicating that a tert-butyliridium(III) species is accessible. Surprisingly, the complexes IrClI{CH2CH(CH3)CH2CH3}(CO)(PMe3)2 and IrClI{CH2CH2CH(CH3)2}(CO)(PMe3)2 do not interconvert under the same conditions, implying that a tert-pentylirdium(III) species cannot be formed. The results are compared with alkyl group rearrangements that occur in other transition-metal systems, especially those promoted by dissociation of Ph3P in (η-C5H5)FeR(CO)(PPh3).

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Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Cerebrospinal fluid lymphocytes in experimental allergic encephalomyelitis.》. Authors are Wilkerson, L D; Lisak, R P; Zweiman, B.The article about the compound:1-Iodo-2-methylbutanecas:616-14-8,SMILESS:CCC(CI)C).Safety of 1-Iodo-2-methylbutane. Through the article, more information about this compound (cas:616-14-8) is conveyed.

We report characteristics of the cerebrospinal fluid (CSF) pleocytosis (616+/-148 cells/microliter) that occurred in guinea-pigs with definite clinical experimental allergic encephalomyelitis developing 12 to 16 days after sensitization with homologous myelin basic protein. This pleocytosis was not present in the cerebrospinal fluid of a group of animals studied when still healthy, 9 or 10 days after similar sensitization. Eighty-nine per cent of cells in the CSF pleocytosis were small lymphocytes, 8% were larger lymphocytes and the remainder mostly monocytes. Of the lymphocytes, most were E-rosetting or null cells. B-cell markers were uncommon. The cellular patterns in this CSF pleocytosis appear to be similar to those seen in some delayed hypersensitivity responses.

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Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Asymmetric reductions. VI. The action of the Grignard reagent from (+)-1-chloro-2-methylbutane on a series of alkyl tert-butyl ketones, published in 1959, which mentions a compound: 616-14-8, mainly applied to , Electric Literature of C5H11I.

cf. C.A. 51, 1828h. Title reactions were carried out with six ketones, and the % asymmetric reduction, i, was determined by comparing the observed rotation of each resulting carbinol with the maximum rotation of pure isomers obtained by resolution. The absolute configurations of the prepared carbinols were determined and R, [α]25D (neat), and i were as follows: Me, 0.63°, 13.4; iso-Pr, -0.38°, 4.6; Et, -2.94°, 10.7; Pr, -3.87°, 11.3; Bu, -3.78°, 11.0; and iso-Bu, -2.56°, 5.9. The results agreed with a reaction mechanism of Grignard reduction involving an intermediate cyclic six-membered transition state in which stereospecificity was controlled by steric interaction of the alkyl and tert-butyl groups of the ketones and the Me and Et groups of the Grignard reagent. The alkyl tert-butyl ketones were prepared by coupling the appropriate acid chloride, RCOCl, with the Grignard reagent from freshly distilled tert-BuCl in the presence of Cu2Cl2 to yield the following products (R, % yield based on Grignard reagent, b.p., and n25D given): Me, 33, 105.2°, 1.3974; Et, 89, 125.0-5.8°, 1.4049-51; Pr, 63, 145.0-5.8°, 1.4109-11; iso-Pr, 36, 135.2-6.7°, 1.4049-68; Bu, 69, 167.0-9.0°, 1.4149-59; and iso-Bu, 40, 155.5-7.0°, 1.4135-42. Only the Me and Pr tert-butylcarbinols were resolved in earlier work, and the resolution of the remaining four, by classical methods (Ingersoll, C.A. 38, 29257), is reported here. Racemic tert-BuCHEtOH (I), b. 136°, n20D 1.4235, was converted to the dl-acid phthalate, m. 88.0-8.3°. By procedures involving brucine and recrystallizations the (-)-acid phthalate (II) was obtained, m. 91.0-1.5°, [α]27D -3.75° (c 20.5, CHCl3), the rotation in CHCl3 being concentration dependent, 2.2° (c 1.5). (+)-I was regenerated from II, n20D 1.4230, α23D 27.40° (neat, l 1); acetate from (+)-I b38 74°, α24D 12.16° (neat, l 0.5), d23 0.856; benzoate from (-)-I b0.8 20°, α25D -3.19° (neat, l 0.5), n20D 1.4912, d23 0.957. Racemic tert-BuCH(OH)Pr-iso (III), b. 150.9-1.1°, n20D 1.4290-9, gave the dl-acid phthalate, m. 114.5-16.0°. The brucine salt was prepared and a less soluble form obtained, m. 173-5°, [α]28D -23°, which on hydrolysis gave an acid phthalate (IV), m. 100.5-3.0°, [α]25D 0.00°, which was hydrolyzed to (-)-III, α28D -7.22° (neat, l 1). Hydrolysis of the more soluble form of the brucine salt, [α]28D -16.1°, gave an acid phthalate (V), [α]28D 0.00°, which on hydrolysis gave (+)-III, α28D 7.22° (neat, l 1). The strychnine salt of IV was also prepared, [α]28D -25.7°, the acid phthalate regenerated, and converted to (-)-III, α28D -8.94° (neat, l 1), n20D 1.4300. The cinchonine salt of V was prepared, m. 144-7° (decomposition), [α]28D 106°, from which an acid phthalate was regenerated, m. 105.5-7.0°, and hydrolyzed to (+)-III, α28D 9.06° (neat, l 1). These latter values of -8.94° for (-)-III and 9.06° for (+)-III were considered best values. Also prepared were acetate of (+)-III, b155 130°, n21D 1.4166, α28D -1.44° (neat, l 1), and benzoate of (+)-III, b32 195°, n19D 1.4969, α25D -0.16° (neat, l 1). Racemic tert-BuCH(OH)Bu-iso (VI), b150 115-16°, n25D 1.4309, m. 17°, gave acid phthalate (VII), m. 83.5-4.5°. Strychnine was used in the resolution and eventually (+)-VII was obtained, m. 75.6-7.5°, [α]23D 8.7° (c 1.5, CHCl3), hydrolyzed to (+)-VI, m. 40-1°, α26D 57.5° (c 20.4, MeOH), and α23D 54.5° (neat, by extrapolation of rotation-concentration curve); acetate of (+)-VI b17 73°, α22D 15.15° (neat, l 0.5), n20D 1.4176, d22 0.852; benzoate of (+)-VI b0.6 88°, α25D 8.24° (neat, l 0.5), n20D 1.4870, d25 0.955. Racemic tert-BuCHBuOH (VIII), n20D 1.4320, was converted to acid phthalate (IX), m. 100.5-2.0°, and then to the strychnine salt. The regenerated (+)-IX was a glass, α23D 4.5° (c 2.8, CHCl3), which was saponified to (+)-VIII, n20D 1.4314, α24D 17.10° (neat, l 0.5). The (-)-phthalate from the more soluble fractions of strychnine salt gave (-)-VIII, α24D -16.39° (neat, l 0.5). The dl-tetrachlorophthalate of VIII was also prepared, m. 126-8°, converted to the strychnine salt, and the less soluble form, [α]25D -12°, hydrolyzed to (-)-acid tetrachlorophthalate, α22D -9.69°, which was saponified to (+)-VIII, α22D 13.70° (neat, l 0.5); 3,5-dinitrobenzoate (X) of (+)-VIII m. 107.5° (MeOH), α25D 10.0° (c 2.4, CHCl3); 3,5-dinitrobcnzoate of dl-VIII, m. 84.0-4.5°. X was saponified to (+)-VIII, b23 76°, α25D 17.12° (neat, l 0.5), n20D 1.4310, d26 0.823. The value for pure (+)-VIII was taken as α25D 34.24° (neat, l 1). From (-)-VIII, α25D -32.8° (neat, l 1), was prepared: acetate, b20 87°, α26D -11.25° (neat, l 0.5), n20D 1.4191, d26 0.851; benzoate, b0.5 98°, α25D -7.29° (neat, l 0.5), n20D 1.4887, d25 0.936; p-nitrobenzoate, b0.5 144-5°, α29D -12.50°, n25D 1.5070. Some work was done with the Grignard reagents of the following prepared compounds: (+)-1-bromo-2-methylbutane, b100 60.8°, n20D 1.4453, α24D 4.22° (neat, l 1), 84% optical purity, a 2nd preparation b100 57-8°, α26.6D 4.66°, 93% optical purity; and (+)-1-iodo-2-methytbutane, n20D 1.4955-69, α21D 8.65° (neat, l 1), 98.5% optical purity, 2nd preparation b53 70°, n20D 1.4969-72, α25D 16.8° (neat, l 2), optical purity 96.5%.

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Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem

SDS of cas: 616-14-8. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. Compound: 1-Iodo-2-methylbutane, is researched, Molecular C5H11I, CAS is 616-14-8, about Gas chromatography of alkyl halides on a silicone oil capillary column. Author is Hepburn, D. R.; Hudson, H. R..

RX (R = C3H7, C4H9, and C5H11; X = Cl-, Br-, and I-) isomers were separated and identified by gas chromatog. on a capillary column containing silicone fluid MS 550 at 20° with N carrier gas and a flame ionization detector. The straight-chain secondary hexyl, heptyl, and octyl halide isomers were similarly separated at 20-80°. The technique was used to analyze quant. 27 com. available secondary alkyl halides for their isomeric composition

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Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called Pheromone synthesis. Part 259: Synthesis of seven methyl-branched hydrocarbons as the pheromone candidates for female Korean apricot wasp, Eurytoma maslovskii, published in 2016-07-28, which mentions a compound: 616-14-8, mainly applied to pheromone synthesis Korean apricot wasp branched hydrocarbon, Synthetic Route of C5H11I.

Seven new methyl-branched hydrocarbons were synthesized, which were the pheromone candidates of the female Korean apricot wasp (Eurytoma maslovskii). They are (Z)-15-methyl-7-nonacosene (I), (Z)-17-methyl-7-hentriacontene (II), 3,7-dimethylheptacosane (III), 8,12-dimethyltriacontane (IV), 8,18-dimethyltriacontane (V), 3,7,11-trimethylnonacosane (VI), and 3,7,17-trimethylnonacosane (VII). All of them were synthesized as stereoisomeric mixtures, employing short and simple routes. Hydrocarbon VII was synthesized via 4,8-dimethyldecanal (tribolure), the red flour beetle pheromone. The hydrocarbons I, II, III and VI were identified by GC-MS anal. as the components (with unknown stereochem.) of the female-specific secretion of E. maslovskii.

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Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Interaction of hydroxy compounds and phosphorus and thionyl halides in the absence and in the presence of tertiary bases. VI》. Authors are Berlak, Marianne C.; Gerrard, Wm..The article about the compound:1-Iodo-2-methylbutanecas:616-14-8,SMILESS:CCC(CI)C).Computed Properties of C5H11I. Through the article, more information about this compound (cas:616-14-8) is conveyed.

cf. C.A. 41, 93d. The following yields (in %) of alkyl iodide were obtained from the resp. alc. and 0.33 mol. PI3 in CS2 at 15-20° in 24 h. (other exptl. conditions indicated): PrOH 40; iso-PrOH 20 (72 h. 21; 1 mol. 18); BuOH 43 (72 h. 61, 2.5 h. at b.p. 48; 1 mol. for 24 or 72 h. 56); sec-BuOH 60 (72 h. 58; 1 mol. 61); tert-BuOH 20 (also 72 h.; 1 mol. 17); sec-BuCH2OH 48 (68 h. 44, 1 mol. 45); Pr2CHOH 74 (1 mol. 80); C8H17OH 42 (1 mol. 56); C6H13CH(Me)OH (I) 36 (0.66 mol. for 24 or 72 h. 66, 1 mol. 75). (+)-I (6.5 g.) and 3.95 g. C5H5N in 50 cc. CS2 at -10°, treated with 6.9 g. PI3, give 9.3 g. C5H5N.HI; further addition of 13.8 g. PI3 gives 7.78 g. C6H13CHIMe, αD18 -56.8% BuOH and C8H17OH show a similar behavior. (-)-Dimethylhexylcarbinyl H phosphite (4.6 g., αD22 -12.6°) at -10°, treated (1 h.) with HI and kept 18 h. at 15° gives 5.93 g. (+)-C6H13CHIMe, αD20 45.8°. (BuO)2PHO (6.5 g.), treated 50 min. at -10° with HI and kept 30 min. at -10°, gives 2.65 g. BuI; if the reaction is carried out without cooling (temperature rise from 19 to 23°), there results 5.3 g. BuI. (RO)2HPO react much more readily with HI than with HCl or HBr. The mechanism of the reaction is discussed.

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Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem

Recommanded Product: (R)-(9H-Fluoren-9-yl)methyl (1-chloro-4-methyl-1-oxopentan-2-yl)carbamate. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: (R)-(9H-Fluoren-9-yl)methyl (1-chloro-4-methyl-1-oxopentan-2-yl)carbamate, is researched, Molecular C21H22ClNO3, CAS is 198544-60-4, about Chemical genetics approach to identify new small molecule modulators of cell growth by phenotypic screening of Saccharomyces cerevisiae strains with a library of morpholine-derived compounds. Author is Trabocchi, Andrea; Stefanini, Irene; Morvillo, Manfredi; Ciofi, Leonardo; Cavalieri, Duccio; Guarna, Antonio.

A chem. genetics approach has been applied in the screening of yeast deletants strains with a pool of morpholine-derived compounds in order to identify candidate small mols. able to produce phenotypic effects on yeast cells. The anal. of the effects of structurally diverse mols. towards cell growth rate in both exponential and stationary phases provides a tool to select candidate compounds for subsequent assays to identify new chem. entities as chem. probes for drug discovery.

There is still a lot of research devoted to this compound(SMILES：O=C(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)N[C@H](CC(C)C)C(Cl)=O)Recommanded Product: (R)-(9H-Fluoren-9-yl)methyl (1-chloro-4-methyl-1-oxopentan-2-yl)carbamate, and with the development of science, more effects of this compound(198544-60-4) can be discovered.

Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem

The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Vital signs: trends in use of long-acting reversible contraception among teens aged 15-19 years seeking contraceptive services—United States, 2005-2013.》. Authors are Romero, Lisa; Pazol, Karen; Warner, Lee; Gavin, Lorrie; Moskosky, Susan; Besera, Ghenet; Loyola Briceno, Ana Carolina; Jatlaoui, Tara; Barfield, Wanda; Centers for Disease Control and Prevention (CDC).The article about the compound:1-Iodo-2-methylbutanecas:616-14-8,SMILESS:CCC(CI)C).Recommanded Product: 616-14-8. Through the article, more information about this compound (cas:616-14-8) is conveyed.

BACKGROUND: Nationally, the use of long-acting reversible contraception (LARC), specifically intrauterine devices (IUDs) and implants, by teens remains low, despite their effectiveness, safety, and ease of use. METHODS: To examine patterns in use of LARC among females aged 15-19 years seeking contraceptive services, CDC and the U.S. Department of Health and Human Services’ Office of Population Affairs analyzed 2005-2013 data from the Title X National Family Planning Program. Title X serves approximately 1 million teens each year and provides family planning and related preventive health services for low-income persons. RESULTS: Use of LARC among teens seeking contraceptive services at Title X service sites increased from 0.4% in 2005 to 7.1% in 2013 (p-value for trend <0.001). Of the 616,148 female teens seeking contraceptive services in 2013, 17,349 (2.8%) used IUDs, and 26,347 (4.3%) used implants. Use of LARC was higher among teens aged 18-19 years (7.6%) versus 15-17 years (6.5%) (p<0.001). The percentage of teens aged 15-19 years who used LARC varied widely by state, from 0.7% (Mississippi) to 25.8% (Colorado). CONCLUSIONS: Although use of LARC by teens remains low nationwide, efforts to improve access to LARC among teens seeking contraception at Title X service sites have increased use of these methods. IMPLICATIONS FOR PUBLIC HEALTH PRACTICE: Health centers that provide quality contraceptive services can facilitate use of LARC among teens seeking contraception. Strategies to address provider barriers to offering LARC include: 1) educating providers that LARC is safe for teens; 2) training providers on LARC insertion and a client-centered counseling approach that includes discussing the most effective contraceptive methods first; and 3) providing contraception at reduced or no cost to the client. There is still a lot of research devoted to this compound(SMILES：CCC(CI)C)Recommanded Product: 616-14-8, and with the development of science, more effects of this compound(616-14-8) can be discovered.

Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem