Category: Thiomorpholine

Computed Properties of C4H6N4O2. The mechanism of aromatic electrophilic substitution of aromatic heterocycles is consistent with that of benzene. 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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Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 198544-60-4, is researched, SMILESS is O=C(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)N[C@H](CC(C)C)C(Cl)=O, Molecular C21H22ClNO3Journal, Article, Research Support, Non-U.S. Gov’t, Organic & Biomolecular Chemistry called 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, the main research direction is oxazolopyrazine pyrazinooxazine morpholine preparation Saccharomyces cerevisiae cell growth modulator.Formula: C21H22ClNO3.

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.

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COA of Formula: C5H11I. 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 Pheromone synthesis. Part 259: Synthesis of seven methyl-branched hydrocarbons as the pheromone candidates for female Korean apricot wasp, Eurytoma maslovskii. Author is Mori, Kenji; Yang, Chang Yeol.

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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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.Vokin, A. I.; Shulunova, A. M.; Krivoruchka, I. G.; Krylova, O. V.; Lopyrev, V. A.; Turchaninov, V. K. researched the compound: 1-Methyl-4-nitro-1H-imidazol-5-amine( cas:4531-54-8 ).Category: thiomorpholine.They published the article 《Solvatochromism of Heteroaromatic Compounds: XIV. 5-Amino-1-methyl-4-nitropyrazole and Its Analogs》 about this compound( cas:4531-54-8 ) in Russian Journal of General Chemistry (Translation of Zhurnal Obshchei Khimii). Keywords: solvatochromism heteroaromatic aminomethylnitropyrazole. We’ll tell you more about this compound (cas:4531-54-8).

The solvatochromism of H complexes of 5-amino-1-methyl-4-nitropyrazole and 2-nitroaniline derivatives in aprotic protophilic media was described on a quant. level with the aid of Kamlet-Taft empirical parameters. Specific solvation affects only one of the two long-wave bands, that corresponding to an electronic transition involving orbital electron d. transfer from the H-bound N atom. When such transfer does not occur, which is typical of the second transition, specific solvatochromic effect is either weak or absent.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Walden inversion. XIII. The influence of substituting groups on optical rotation in the series of disubstituted acetic acids》. Authors are Levene, P. A.; Mikeska, L. A..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.

cf. C. A. 22, 1953. The conclusion that in the aliphatic series the carbinols and the structurally related halides rotate in opposite directions is substantiated by the study of a series of aliphatic substances derived from disubstituted acetic acids or their corresponding carbinols. Primary halides rotate in the opposite direction to the primary alcs. from which they were derived, while in passing from the corresponding thio to the sulfo derivative the change in rotation is in the same direction, though without change of sign. A decided uniformity was found in the effect on optical rotation of various substitutions of the CO2H group or of the alc. group of the corresponding carbinols, depending upon the position of the subsituting group in the polarity series, C = N > CO2Et > CO2H > CONH2 > COCl > CH2SO3H > CH2X > CH2SH > CH2OH > CH2NH2. The order in this series corresponds with the order of the same groups in polarity series determined by other methods. This relationship holds only for aliphatic substances containing only 1 asym. C atom and only 1 polar group. Active primary amyl alc. was halogenated without marked racemization, while in the rest of the series conversion to the halide from the carbinol by SOCl2, PCl5, HBr, HI, etc., as well as from the amine by NOCl2, led to complete racemization. Optically active halides were obtained in the latter case by the action of NOBr. d-Propylmethylacetic acid, [α]D25 5.58° (Et2O), with SOCl2 gave the d-chloride (I), b15 45-8°; [α]D25 4.06°. I, [α]D25 3.94° (Et2O), with concentrated aqueous NH4OH gave the d-amide, m. 78° (from H2O), [α]D25 5.79° (75% alc.). l-Amide, [α]D25-5.79° (75% alc.), distilled with P2O6 gave l-propylmethylacetonitrile (II), b2 30-2°, [α]D25-13.77°. II with Na-alc. gave d-2-propyl-2-methylethylamine (III), b4 28-30°, [α]D25 3.84°, whose HCl salt had [α]D25 1.51° (50% alc.), l-Propylmethylacetic acid, [α]D25-7.08° (Et2O), with HCl gas in alc. gave the Et ester, b4 78-80°, [α]D25-7.91°. d-Acid Et ester, [α]D25 5.67° (Et2O), with Na-alc. gave l-2-propyl-2-methylethanol (IV), b. 147-7.5°, [α]D25-1.23°. IV with PCl5 or NOCl gave dl-2-propyl-2-methylethyl chloride, b. 110-20°. III with NOBr gave l-2-propyl-2-methylethyl bromide, b10 55-65°, [α]D25-0.94° (Et2O). I with KHS gave d-propylmethylthiolacetic acid, b23 71-2°, [α]D25 7.49°. d-Butylmethylacetic acid (V), [α]D25 5.42° (Et2O), with SOCl2 gave the acid chloride (VI), b9 45-8°, [α]D25 5.06°. VI with NH4OH gave the amide (VII), m. 66° (from H2O), [α]D25 3.86° (75% alc.). VII distilled with P2O5 gave the nitrile (VIII), b9 43-50°, [α]D25 9.40°. In another experiment an amide, [α]D25-11.44°, gave a nitrile, [α]D25-27.09° (Et2O). VIII with Na-alc. gave l-2-butyl-2-methylethylamine, b15 49-54°, [α]D25-3.52° (Et2O), whose HCl salt had [α]D25-2.41° (H2O). V with HCl gas and alc. gave an Et ester, b9 58-62°, [α]D25 6.84°, which with Na-alc. gave d-2-butyl-2-methylethanol, b15 71-2°, [α]D25 2.47° (Et2O). d-Heptylmethylacetic acid (IX), b4 145-7°, [α]D25, whose Na salt, [α]D25 0.84° (H2O), was treated with SOCl2, yielding the acid chloride (X), b1 73-4°, [α]D25 4.89°. X with NH4OH gave the amide (XI), m. 78° (from 50% alc.), [α]D25 7.07° (95% alc.), XI with P2O5 gave the nitrile (XII), b7 85-94°, [α]D25 13.61°. XII with Na-alc. gave 1-2-heptyl-2-methylethylamine (XIII), b24, 103-5°, [α]D25-3.38°, whose HBr salt had [°]D25-4.61° (75% alc.), In another experiment an amine, [α]D25 6.05° (Et2O), was obtained from a nitrile, [α]D25 -15.10° (Et2O). An amine, [α]D25 6.05° (Et2O), was obtained from a HBr salt, [α]D25 5.91°. XIII with HBr (fuming) and NaNO2 gave d-2-heptyl-2-methylethyl bromide, b1 80-5°, [α]D25 2.18° (Et2O). l-Heptylmethylacetic acid, [α]D26 -8.72° (Et2O), with HCl gas and alc. gave the Et ester, b17 122-4°, [α]D25 -8.60°, which with Na-alc, gave d-2-heptyl-2-methylethanol, b0.4 80-2°, [α]D25 3.64°. d-Decylmethylacetic acid, b1 153°, [α]D25 8.47°, showed no rotation when neutralized with NaOH. l-Decylmethylacetic acid (XIV), [α]D25 -6.38° (Et2O), with SOCl2 gave the acid chloride (XV), b0.5 118-25°, [α]D25 -3.5°, which was hydrolyzed, yielding an acid, [α]D25 -5.78° (Et2O). XV with NH4OH gave the amide, m. 77° (from 50% alc.), [α]D25 -3.01° (95% alc.), which with P2O5 gave the nitrile, b0.5 108-10°, [α]D25 -10.87° (Et2O), which with Na-alc. gave d-2-decyl-2-methylethylamine (XVI), [α]D25 4.18°, whose HCl salt, m. 105-18°, [α]D25 3.17° (H2O). XIV with HCl gas and alc. gave an Et ester, b1 141°, [α]D25 -6.48°, which with Na-alc. gave l-2-decyl-2-methylethanol, b1.4 105°, [α]D25 2.34°, XVI with NOBr gave l-2-decyl-2-methylethyl bromide, b0.02 87-90°, [α]D25 -0.39. Primary l-amyl alc., [α]D25 -4.73° (Et2O), with HI gave d-2-ethyl-2-methylethyl iodide, b12 47-50°, [α]D25 3.92° (Et2O), which with KHS gave d-2-ethyl-2-methylethanethiol, b. 116-7°, [α]D25 2.99°. In another experiment an iodide, [α]D25 5.27° (Et2O), gave a mercaptan, [α]D25 6.92°, which with Ba(MnO4)2 gave d-2-ethyl-2-methylethanesulfonic acid, whose Ba salt had [α]D25 5.09° (H2O). A table of mol. rotations of the various derivatives, which do not necessarily agree with the exptl. figures, is appended. These values were calculated on the basis of the parent substance of the highest rotation. There is also a table of d.

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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).Formula: 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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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, Chemical Communications (Cambridge, United Kingdom) called N-Heterocyclic olefins as efficient phase-transfer catalysts for base-promoted alkylation reactions, Author is Blumel, Marcus; Crocker, Reece D.; Harper, Jason B.; Enders, Dieter; Nguyen, Thanh V., which mentions a compound: 616-14-8, SMILESS is CCC(CI)C, Molecular C5H11I, Application of 616-14-8.

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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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 1-Iodo-2-methylbutane, is researched, Molecular C5H11I, CAS is 616-14-8, about Radical Yields in the Radiolysis of Branched Hydrocarbons: Tertiary C-H Bond Rupture in 2,3-Dimethylbutane, 2,4-Dimethylpentane, and 3-Ethylpentane, the main research direction is radiolysis branched hydrocarbon tertiary carbon hydrogen bond rupture.Quality Control of 1-Iodo-2-methylbutane.

Gel permeation chromatog. has been applied to iodine scavenging studies of the distribution of radicals produced in the radiolysis of sym. branched hydrocarbons 2,3-dimethylbutane, 2,4-dimethylpentane, and 3-ethylpentane. The principal iodides observed are those expected as a result of simple bond rupture. In the case of 2,3-dimethylbutane all five expected iodides are readily resolvable and it is shown that the loss of H from a tertiary position is favored over loss from a primary position by a factor of ∼10. A similar ratio is also observed for 2,4-dimethylpentane. The higher ratio of 15 observed for 3-ethylpentane indicates a dependence on the number of tertiary sites on the alkane. The relative yield of ∼3.3 for the loss of secondary and primary H atoms from 2,4-dimethylpentane and 3-ethylpentane is similar to that for normal alkanes, indicating a negligible effect of the adjacent tertiary carbon. In all three cases the rupture of terminal C-C bonds is relatively infrequent with C-C rupture occurring preferentially at the bonds adjacent to the tertiary carbon.

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Olah, George A.; Welch, John T.; Vankar, Yashwant D.; Nojima, Mosatomo; Kerekes, Istvan; Olah, Judith A. published the article 《Synthetic methods and reactions. 63. Pyridinium poly(hydrogen fluoride) (30% pyridine-70% hydrogen fluoride): a convenient reagent for organic fluorination reactions》. Keywords: fluorination pyridinium polyhydrogen fluoride; diazotization fluorination; safety pyridinium polyhydrogen fluoride.They researched the compound: 1-Iodo-2-methylbutane( cas:616-14-8 ).Synthetic Route of C5H11I. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:616-14-8) here.

Pyridinium polyhydrogen fluoride (30% pyridine-70% HF) reagent, a stabilized, less-volatile form of HF, is a convenient and effective fluorinating agent. Fluorination, halofluorination, nitrofluorination, and hydrofluorination of olefins were achieved using the reagent. The in situ diazotization and subsequent fluorinative dediazonization of α-amino acids, aminoarenes, and carbamates yielded α-fluorocarboxylic acids, aryl fluorides, and fluoroformates, resp. Geminal dihalides and α-halo ketones were treated with HgO in pyridinium polyhydrogen fluoride to form geminal difluorides and α-fluoro ketones. Solutions of alkali halides in pyridinium polyhydrogen fluoride were also effective halogenating agents for aminoarenes, via in situ diazotization and subsequent nucleophilic dediazonization by the corresponding halides, as well as for alcs., via SN2 displacement reactions. Diazo ketones and diazoalkanes also reacted smoothly with halide ions in pyridinium polyhydrogen fluoride solution to give the corresponding geminally halofluorinated compounds Proper precautions must be observed in using pyridinium polyhydrogen fluoride.

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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Action of ionizing radiation on simple organic compounds》. Authors are Napier, K. H.; Green, J. H..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.

I131 in a hydrocarbon was irradiated either with β-rays from a 500 mc. Sr90-Y90 source or with γ-rays from a 5 c. Cs137 source. The distribution of resulting iodinated products were analyzed by gas chromatography. From butane the following percentages of alkyl iodides were obtained: methyl, ethyl, n-propyl, sec-butyl, n-butyl (9, 20, 2, 47, 22, resp.). At some stages in the radiolysis, HI can be as high as 20%.

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