Month: April 2022

Quality Control of 1-Iodo-2-methylbutane. 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: 1-Iodo-2-methylbutane, is researched, Molecular C5H11I, CAS is 616-14-8, about Diphosphorus tetraiodide (P2I4). A valuable reagent for regioselective synthesis of iodo alkanes from alcohols. Author is Lauwers, M.; Regnier, B.; Van Eenoo, M.; Denis, J. N.; Krief, A..

Primary, secondary, and tertiary alkanols and phenylalkanols and secondary and tertiary cycloalkanols were converted in high yields to the resp. alkyl, phenylalkyl, and cycloalkyl iodides by P2I4 in CS2 and at 20°. E.g., ROH [R = Me(CH2)7, Ph(CH2)2, cyclopentyl] gave 80-8% RI in 24 h.

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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 N-Heterocyclic olefins as efficient phase-transfer catalysts for base-promoted alkylation reactions, published in 2016, which mentions a compound: 616-14-8, mainly applied to dicarbonyl compound alkyl halide alkylation reaction heterocyclic olefin catalyst; heterocyclic olefin preparation, Safety of 1-Iodo-2-methylbutane.

N-Heterocyclic olefins (NHOs), e.g., I have very recently emerged as efficient promoters for several chem. reactions due to their strong Bronsted/Lewis basicities. The novel application of NHOs as efficient phase-transfer organocatalysts for synthetically important alkylation reactions on a wide range of substrates, further demonstrates the great potential of NHOs in organic chem has been reported.

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Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 1-Methyl-4-nitro-1H-imidazol-5-amine(SMILESS: NC1=C([N+]([O-])=O)N=CN1C,cas:4531-54-8) is researched.Recommanded Product: 2-(Furan-2-yl)-2-oxoacetaldehyde. The article 《Nitroimidazoles. VI. Partition coefficients and tautomerism of simple nitroimidazoles》 in relation to this compound, is published in Acta Poloniae Pharmaceutica. Let’s take a look at the latest research on this compound (cas:4531-54-8).

Octanol-water partition coefficients (P) were determined for 42 simple nitroimidazoles with Me, Cl, Br, MeO, NH2, and NO2 substituents. Correlation between log P and the substituent constants πX of Hansch and fX of Nys-Rekker was derived. For the N-methylated compounds, the average value of πN-CH3 was calculated to be -0.30. Significance of log P measurement in estimating the tautomeric equilibrium in 4(5)-nitroimidazoles is discussed in detail.

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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 《Optical rotations of configurationally related azides》. Authors are Levene, P. A.; Rothen, Alexandre; Kuna, Martin.The article about the compound:1-Iodo-2-methylbutanecas:616-14-8,SMILESS:CCC(CI)C).Application In Synthesis of 1-Iodo-2-methylbutane. Through the article, more information about this compound (cas:616-14-8) is conveyed.

Substances of the type MeCH[(CH2)n1X][(CH2)n2R], where n1 or n2 = 0 or an integer, X = a functional group and R = a normal alkyl, Ph or C6Hn group, can be classified into 2 categories, viz., those, typified by X = CHO, in which the configuration of the 1st members having n1 = 0 can be correlated by classical methods to those having n1 > 0, and those, typified by X = halogen, in which such correlation cannot be accomplished by classical methods. For the purpose of solving the latter problem the azides were chosen over the halides, inasmuch as they can be converted into the corresponding amines. The amines, while belonging to the 2nd category, can be correlated among themselves by a sufficiently reliable though nonclassical argument which will be reported later. The secondary azides were prepared by the action of NaN3 on the iodides and the amines by reduction of the azides with PtO2. The rotatory phenomena observed in the series of azides and halides were compared with those in the series of aldehydes and were found to be dissimilar in both series. Hence a comparison of these phenomena cannot be used for the correlation of the members of the series of halides and azides having n1 = 0 with those having n1 > 0. The following compounds were prepared: l-2-iodobutane, b. 111-18°, [M]D25 -24.1°, from the alc. and anhydrous HI in a bomb tube at room temperature for 2 days; d-2-azidobutane, b500 85°, d425 0.8619, nD25 1.4122, [M]D25 15.9°; d-2-aminobutane, [M]D25, 0.66° (in H2O), (HCl salt, [M]5875.625 -0.44° (in H2O)); l-2-iodoöctane, b1 52°, nD25 1.4863, d425 1.3158, [M]D25 -80.0°; d-2-azidoöctane, b9 68°, nD25 1.4332, d425 0.8555, [M]D25 43.4°, 42.5° (in heptane (I)); d-2-aminoöctane, b9 48°, nD25 1.4220, [M]D25 5.41°, (HCl salt, [M]D25 -6.44° (in H2O)); d-1-iodo-2-methylbutane, b. 145-6°, nD25 1.4950, [M]D25 8.28°, maximum [M]D25 11.1°; d-1-azido-2-methylbutane, b138 72°, nD25 1.4240, d425 0.8770, [M]D25 8.61°, maximum [M]D25 11.6°; l-1-amino-2-methylbutane, b12 40-5°, [M]5875.625 -0.21° (in H2O); l-1-azido-2-methylhexane, b15 59-60°, [α]D25 -0.30°; d-1-iodo-2-methylnonane, b4 86°, d425 1.254, [M]D25 2.54°; l-1-azido-2-methylnonane, b10 98-102°, d425 0.8658, nD25 1.4430, [M]D25 -0.74°; l-1-iodo-3-methylpentane, b12 54°, d425 1.3934, nD25 1.4866, [M]D25 -16.1°, maximum [M]D25 -43.9°; l-1-azido-3-methylpentane, b. 145-8°, nD25 1.4300, [M]D25 -9.63°, maximum [M]5875.625 -26.3° (in I); d-1-iodo-4-methylhexane, b13 74-5°, b103 124-6°, nD25 1.4852, d425 1.3579, [M]D25 8.20°, maximum [M]D25 26.2°; d-1-azido-4-methylhexane, b418 157°, d425 0.8636, nD25 1.4323, [M]5875.625 5.41°, maximum [M]5875.625 17.3° (in I.). All values for [M] are for the homogenous substance unless otherwise stated.

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Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem

Computed Properties of C4H6N4O2. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 1-Methyl-4-nitro-1H-imidazol-5-amine, is researched, Molecular C4H6N4O2, CAS is 4531-54-8, about Nitroarylamines via the Vicarious Nucleophilic Substitution of Hydrogen: Amination, Alkylamination, and Arylamination of Nitroarenes with Sulfenamides. Author is Makosza, Mieczyslaw; Bia-lecki, Maciej.

A new reaction of sulfenamides with electrophilic arenes under basic conditions is described. The σ adducts formed from nitroarenes and the anions of sulfenamides undergo elimination of thiol to produce the corresponding o- and/or p-nitroanilines. This reaction is analogous to the known alkylation and hydroxylation of nitroarenes via the vicarious nucleophilic substitution of hydrogen (VNS). The reaction gives access to a wide range of substituted nitroanilines, nitronaphthylamines, and aminoheterocycles. By means of the reaction with N-alkyl- and N-arylsulfenamides, it is possible to obtain N-alkylnitroanilines and nitrodiarylamines. By varying the structure of sulfenamide and the reaction conditions, particularly the nature and concentration of the base, it is possible to control the orientation of amination.

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Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 1-Methyl-4-nitro-1H-imidazol-5-amine, is researched, Molecular C4H6N4O2, CAS is 4531-54-8, about A catalyst and additive-free three-component reaction of highly electrophilic azides with cyclic ketones and cycloaliphatic amines. Synthesis of novel N-heteroaryl amidines, the main research direction is heteroaryl amide preparation; electrophilic azide cyclic ketone amine three component reaction.Category: thiomorpholine.

Highly electrophilic 5-azido-1-methyl-4-nitro-1H-imidazole and sulfonyl azides were demonstrated to react with alicyclic amines and cyclic ketones in the absence of any catalyst or additive to afford novel N-(4-nitroimidazol-5-yl)- or N-sulfonylamidines resp. Based on single crystal X-ray anal., a revision of the previously reported data of Gao and co-workers on the direction of the reaction of sulfonyl azides with endocyclic enamines was made. The reaction of 2,6-diazidopyridine with an enamine, 4-(cyclohex-1-en-1-yl)morpholine, proceeded with cyclization of the azide moiety onto the pyridine C=N bond to form an amidine bearing the tetrazolo[1,5-a]pyridine fragment.

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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 《Diimidazoles. IV. Derivatives of 4,5-diaminoimidazole and their attempted cyclization》. Authors are Schubert, Hermann; Heydenhauss, Dieter.The article about the compound:1-Methyl-4-nitro-1H-imidazol-5-aminecas:4531-54-8,SMILESS:NC1=C([N+]([O-])=O)N=CN1C).Electric Literature of C4H6N4O2. Through the article, more information about this compound (cas:4531-54-8) is conveyed.

The preparation of a series of 1-methyl-4-nitro-5-alkylaminoimidazoles (I) is described. The catalytic hydrogenation of I and of 1-methyl-4-nitro-5-aminoimidazole (Ia) (R = H) (II) yielded unstable diamines which could neither be isolated nor cyclized. Acetylation of II gave the di-Ac derivative (III) of II. I were formylated and acetylated smoothly; hydrogenation of the products yielded stable acyl derivatives of 4,5-diaminoimidazole. (CONHMe)2 with PCl5 gave 40.8% 5-chloro-1-methylimidazole (IV), b15 90°. IV (103 g.), 100 cc. concentrated HNO3, and 400 cc. H2O evaporated, the residue added in portions at 10° to 3 times its weight of concentrated H2SO4, and the mixture heated 2 hrs. on a water bath yielded 122 g. 5-Cl analog (V) of II, m. 149-50°. V (13.2g.)in 3.5%absolute NH3EtOH heated 2 hrs. at 130-40° in a sealed tube yielded 6.3 g. II, m. 303° (decomposition) (H2O). II (5 g.) and 200 cc. Ac2O refluxed about 5 hrs. gave 5.2 g. III, m. 149.5-50.5°. V (1.62 g.) in 25 cc. 7% absolute alc. MeNH2 refluxed 3 hrs. yielded 1.45 g. Ia (R = Me) (VI), m. 156-7° (EtOH). VI (5 g.) in 50 cc. HCO2Ac kept 20 hrs. at room temperature and concentrated yielded 5 g. the N-CHO derivative (VII), m. 142.5-3.5° (EtOH). VI (10 g.) in 200 cc. Ac2O heated 1 hr. at 90-100° gave 8.2 g. the N-Ac derivative (VIII), m. 168-9° (BuOH or dioxane). V (1.62 g.) in 37 cc. 7% absolute alc. EtNH2 refluxed 3 hrs. and refrigerated overnight yielded 1.6 g. Ia (R = Et), m. 161-2° (dioxane). In the same manner were prepared the following Ia (R, m.p., and % yield given): Pr, 114-18° (dioxan-epetr. ether), 92; Bu, 101-6° (dioxane-petr. ether), 61; PhCH2, 132-3° (EtOH), 90. Also prepared was the N-Me derivative of VI, m. 94-5.5° (C6H6-petr. ether), 47% yield. II (0.76 g.) in 30 cc. 85% HCO2H hydrogenated 4 hrs. at 17°/756 mm. over 0.2 g. PtO2 yielded a black-brown oil, which treated with dilute aqueous NaOH liberated NH3. III (0.5 g.) in 45 cc. absolute BuOH hydrogenated 40 min. at 17°/770 mm. over 0.2 g. PtO2, and the resulting oily product in C6H6 treated with the stoichiometric amount picric acid yielded 1-methyl-4-amino-5-(N,N-diacetylamino)imidazole picrate, m. 160-1° (decomposition) (BuOH). The BuOH solution from a duplicate run refluxed 1.5 hrs. under argon gave only a brown, flocculent precipitate Hydrogenation of 0.5 g. VI in H2O, dilute HCl, dry dioxane, AcOH, AcOH-HCl, and Ac2O over 0.2 g. PtO2 gave only oily unstable materials. VII (0.6 g.) in 100 cc. Bu0H hydrogenated 50 min. at 18°/763 mm., and the resulting yellow oil treated in EtOH with picric acid gave the picrate of 1-methyl-4-amino-5-(N-methyl-N-formylamino)imidazole (IX), m. 173-70 (decomposition) (H2O); styphnate m. 177-8.5° (decomposition) (H2O). The BuOH solution of the crude IX refluxed 2 hrs. under argon yielded a brown, flocculent precipitate VIII (2 g.) in 120 cc. BuOH hydrogenated 1 hr. at 20°/755 mm. over 0.4 g. PtO2 yielded 1.4 g. 5-AcMeN analog (X) of IX, m. 165-6° ( PhCl); picrate m. 217-21° (decomposition) (H2O); styphnate m. 196-9° (decomposition) (H2O); HCl salt m. 225-6° (decomposition). All attempted cyclizations of X were unsuccessful. X (0.5 g.) in 3 cc. absolute HCO2H refluxed 1.5 hrs. yielded 0.4 g. 1-methyl-4-formyl-amino-5-(N-methyl-N-acetylamino)imidazole (XI), m. 154-5.5° (absolute EtOH-Et2O). X (2.1 g.) in 15 cc. AcOH refluxed 0.5 hr. yielded 1.47 g. 4-AcNH analog of XI, m. 188.5-9.5° (1:1 dioxane-PhCl); picrate m. 166-9° (EtOH); all attempted cyclizations were unsuccessful.

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Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, MMWR. Morbidity and mortality weekly report called Vital signs: trends in use of long-acting reversible contraception among teens aged 15-19 years seeking contraceptive services—United States, 2005-2013., Author is 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), which mentions a compound: 616-14-8, SMILESS is CCC(CI)C, Molecular C5H11I, Safety of 1-Iodo-2-methylbutane.

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. Compound(616-14-8)Safety of 1-Iodo-2-methylbutane received a lot of attention, and I have introduced some compounds in other articles, similar to this compound(1-Iodo-2-methylbutane), if you are interested, you can check out my other related articles.

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 Metal-free C(sp3)-H functionalization of sulfonamides via strain-release rearrangement, published in 2021, which mentions a compound: 616-14-8, mainly applied to unsaturated imine preparation diastereoselective chemoselective DFT; fluorotosylamide tosylbenzaldimine carbon hydrogen functionalization strain release rearrangement, Reference of 1-Iodo-2-methylbutane.

A metal-free reaction system that enables C-H bond functionalization of aliphatic sulfonamides R(CH2)2N(F)Ts (R = decyl, cyclohexyl, oxan-4-yl, benzyl, etc.) using DABCO as a promoter under mild conditions, affording a series of α,β-unsaturated imines R1CH=C(R)CH=NTs (R1 = Ph, 4-chlorophenyl, 2,3-dihydro-1-benzofuran-5-yl, etc.) in good yields with high selectivities was presented. This protocol tolerates a broad range of functionalities and can serve as a powerful synthetic tool for the late-stage modification of complex compounds More importantly, control experiments and detailed DFT calculations suggest that this process involves [2 + 2] cyclization/ring-cleavage reorganization, which opens up a new platform for the establishment of other related reorganization reactions.

Compound(616-14-8)Reference of 1-Iodo-2-methylbutane received a lot of attention, and I have introduced some compounds in other articles, similar to this compound(1-Iodo-2-methylbutane), if you are interested, you can check out my other related articles.

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).Quality Control of 1-Iodo-2-methylbutane. 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. Compound(616-14-8)Quality Control of 1-Iodo-2-methylbutane received a lot of attention, and I have introduced some compounds in other articles, similar to this compound(1-Iodo-2-methylbutane), if you are interested, you can check out my other related articles.

Reference:
Thiomorpholine – Wikipedia,
Thiomorpholine | C4H9NS – PubChem