Category: 14294-10-1

Singh, Harjit published the artcileSynthesis of heterocyclics via enamines. II. Reactions of cyclohex-1-enyl -aniline, -morpholine, and -piperidine with 1,1-dimethyl-3-oxobutyl isothiocyanate, Synthetic Route of 14294-10-1, the publication is Australian Journal of Chemistry (1975), 28(1), 143-9, database is CAplus.

The condensation of cyclohex-1-enylaniline with 1,1-dimethyl-3-oxobutyl isothiocyanate (I) gave mainly 1,5-benzodiazocine-6(1H)-thione II with some pyrimidine-2-thione III as the minor product. Similar condensations of I with cyclohex-1-enylmorpholine and cyclohex-1-enylpiperidine formed the 1-thiocarbamoyl derivatives through β-elimination of the intermediate IV (X = O, CH2).

Australian Journal of Chemistry published new progress about 14294-10-1. 14294-10-1 belongs to amides-buliding-blocks, auxiliary class Morpholine,Thiourea,Amine,Amide, name is Morpholine-4-carbothioamide, and the molecular formula is C10H16Br3N, Synthetic Route of 14294-10-1.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Singh, Harjit published the artcileSynthesis of heterocyclic compounds via enamines. Part 8. Acid-catalyzed transformations in 4,4,6-trimethyl-1,4-dihydropyrimidine-2(3H)-thione derivatives and related compounds, Formula: C5H10N2OS, the publication is Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) (1980), 1013-18, database is CAplus.

The N-substituted trimethylpyrimidinethiones I (R = alkyl, alkenyl, Ph) were converted into the corresponding N-substituted 1,3-thiazines II and/or thioureas by heating in 11M HCl at 100-10°. However at 95-100°, Dimroth rearrangement products, e.g. the N-substituted thiazines III (R = alkyl, alkenyl, Ph), were formed. Thus, I (R = Me) (IV) in 11M HCl at 100-10° for 4 h gave 90% methylthiourea. IV in 11M HCl at 95-100° for 2.5 h gave 98% III (R = Me).

Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) published new progress about 14294-10-1. 14294-10-1 belongs to amides-buliding-blocks, auxiliary class Morpholine,Thiourea,Amine,Amide, name is Morpholine-4-carbothioamide, and the molecular formula is C18H34N4O5S, Formula: C5H10N2OS.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Kempf, Dale J. published the artcileDiscovery of Ritonavir, a Potent Inhibitor of HIV Protease with High Oral Bioavailability and Clinical Efficacy, HPLC of Formula: 14294-10-1, the publication is Journal of Medicinal Chemistry (1998), 41(4), 602-617, database is CAplus and MEDLINE.

The structure-activity studies leading to the potent and clin. efficacious HIV protease inhibitor ritonavir are described. Beginning with the moderately potent and orally bioavailable inhibitor A-80987, systematic investigation of peripheral (P3 and P2′) heterocyclic groups designed to decrease the rate of hepatic metabolism provided analogs with improved pharmacokinetic properties after oral dosing in rats. Replacement of pyridyl groups with thiazoles provided increased chem. stability toward oxidation while maintaining sufficient aqueous solubility for oral absorption. Optimization of hydrophobic interactions with the HIV protease active site produced ritonavir, with excellent in vitro potency (EC₅₀ = 0.02 μM) and high and sustained plasma concentrations after oral administration in 4 species. Details of the discovery and preclin. development of ritonavir are described.

Journal of Medicinal Chemistry published new progress about 14294-10-1. 14294-10-1 belongs to amides-buliding-blocks, auxiliary class Morpholine,Thiourea,Amine,Amide, name is Morpholine-4-carbothioamide, and the molecular formula is C5H10N2OS, HPLC of Formula: 14294-10-1.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Thorat, Kishor G. published the artcilePyrrole-thiazole based push-pull chromophores: An experimental and theoretical approach to structural, spectroscopic and NLO properties of the novel styryl dyes, Quality Control of 14294-10-1, the publication is Journal of Photochemistry and Photobiology, A: Chemistry (2017), 1-17, database is CAplus.

Novel push-pull fluorophores constituted by two donors (substituted pyrrole and morpholine) linked to acceptor through thiazole electron spacer have been synthesized. The fluorophores are investigated for linear and non-linear optical properties by UV-VIS absorption and fluorescence spectroscopies, and by means of TD-DFT (B3LYP/6-31G(d)) method, with the aim of elucidating the ability of the morpholine/pyrrole-donor-thiazole-spacer based D-π-A fluorophores as organic NLO materials. The bond length alternation and generalized Mulliken-Hush (GMH) anal. is performed to understand the involvement of the donor in effective transfer of the charge to acceptor. Values of first-order hyperpolarizabilities (β_CT or β₀), obtained by the solvatochromic method (Lippert Mataga model), and the transition dipole moments (μ_eg) used to characterize and evaluate the non-linear optical performances of the D-π-A fluorophores in various microenvironments. The D-π-A fluorophores possess good values of β_CT or β₀ in different organic solvents and hold high thermal stabilities therefore can be used as potential organic NLO materials.

Journal of Photochemistry and Photobiology, A: Chemistry published new progress about 14294-10-1. 14294-10-1 belongs to amides-buliding-blocks, auxiliary class Morpholine,Thiourea,Amine,Amide, name is Morpholine-4-carbothioamide, and the molecular formula is C12H17NS2, Quality Control of 14294-10-1.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Tayade, Rajratna P. published the artcileSynthesis of Novel Thiazole Based Carbaldehyde as Potential Sensor for Fluoride Anion and their Spectroscopic Properties, Safety of Morpholine-4-carbothioamide, the publication is Journal of Fluorescence (2017), 27(3), 1117-1128, database is CAplus and MEDLINE.

A novel thiazole based carbaldehyde bearing benzimidazole fluorophore as the receptor unit for F^– anion was prepared by multistep synthesis. D. functional theory was used to understand the structural and electronic properties of the receptor. The anion sensing activities of receptor I were studied for various anions in acetonitrile solvent. The receptor showed fluorescence enhancement in the presence of fluoride anion due to intramol. charge transfer (ICT) mechanism. No significant changes were observed upon addition of less basic anions such as OAc^–, Cl^–, Br^–, I^–, HSO₄^–. After the interaction of fluoride anion with the receptor I leads to an 88 nm red shift in emission maxima. [TBA]OH and ¹H NMR titration experiments indicated that deprotonation of N-H in the benzimidazole due to interaction with fluoride anions.

Journal of Fluorescence published new progress about 14294-10-1. 14294-10-1 belongs to amides-buliding-blocks, auxiliary class Morpholine,Thiourea,Amine,Amide, name is Morpholine-4-carbothioamide, and the molecular formula is C10H10O2, Safety of Morpholine-4-carbothioamide.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Tayade, Rajratna P. published the artcileNovel Thiazole Based Styryl Dyes with Benzimidazole Unit – Synthesis, Photophysical and TD-DFT Studies, COA of Formula: C5H10N2OS, the publication is Journal of Fluorescence (2017), 27(1), 167-180, database is CAplus and MEDLINE.

Three new Y-shaped styryl dyes were designed and synthesized from thiazole carbaldehyde with different active methylene compounds as acceptor moieties. All the dyes were characterized by IR, ¹HNMR, MS/LCMS/HRMS. Spectroscopic properties and non-linear optical properties styryl derivatives were analyzed and the effect of change in solvent polarity on their absorption and emissive properties has been investigated. The dye with (1-phenylethylidene) propanedinitrile unit shows red shift absorption/emission profile among all the dyes. D. Functional Theory and Time Dependent-D. Functional Theory computations have been used for comparative study with the exptl. data and also to understand the structural, mol., electronic and photophys. parameters of the styryl dyes. The computational method was also employed to investigate the nonlinear optical properties of the styryl dyes in different organic solvent. The unsubstituted benzimidazolyl thiazole styryl dyes possess good non-linear optical properties.

Journal of Fluorescence published new progress about 14294-10-1. 14294-10-1 belongs to amides-buliding-blocks, auxiliary class Morpholine,Thiourea,Amine,Amide, name is Morpholine-4-carbothioamide, and the molecular formula is C6H12O2, COA of Formula: C5H10N2OS.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Shreykar, Milind R. published the artcileResonance induced proton transfer leading to NIR emission in coumarin thiazole hybrid dyes: Synthesis and DFT insights, Application of Morpholine-4-carbothioamide, the publication is Tetrahedron Letters (2016), 57(37), 4174-4177, database is CAplus.

Two novel coumarin thiazole hybrid dyes (E)-2-(3-(2-(4-(4-hydroxy-2-oxo-2H-chromen-3-yl)-2-morpholinothiazol-5-yl)vinyl)-5,5-dimethylcyclohex-2-en-1-ylidene)malononitrile (CSI) and (E)-2-(3-(2-(4-(4-methoxy-2-oxo-2H-chromen-3-yl)-2-morpholinothiazol-5-yl)vinyl)-5,5-dimethylcyclohex-2-en-1-ylidene)malononitrile (MeOCSI) were synthesized. CSI exhibits near IR emission with large Stokes shift. The dye CSI shows resonance induced excited state intramol. proton transfer (RI-ESIPT). DFT and TD-DFT calculations clearly support and define the finding.

Tetrahedron Letters published new progress about 14294-10-1. 14294-10-1 belongs to amides-buliding-blocks, auxiliary class Morpholine,Thiourea,Amine,Amide, name is Morpholine-4-carbothioamide, and the molecular formula is C3H3Br2ClO, Application of Morpholine-4-carbothioamide.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Zigeuner, G. published the artcileHeterocycles, part 51. Syntheses of 4-dialkylamino-5,6-dihydro-2(1H)-pyridinethiones and 4-alkylamino or 4-arylamino compounds, Related Products of amides-buliding-blocks, the publication is Monatshefte fuer Chemie (1976), 107(6), 1361-7, database is CAplus.

(Dialkylamino)dihydro-2(1H)-pyridinethiones I (R = Me or R2 = CH2CH2OCH2CH2) were prepared by heating the heterocycles II (X = NH, S) with dialkylformamides or by the reaction of secondary amines with thiazinthiones III (R1 = OH, morpholino), with MeCOCH2CMe2NHCSNR2 or with MeCOCH2CMe2N:C:S. A general method for the preparation of I is the reaction of R2NH.HNCS, R2NCSNH2, or dialkylammonium chlorides and KCNS with MeCOCH:CHMe or MeCOCH2CH2OH.

Monatshefte fuer Chemie published new progress about 14294-10-1. 14294-10-1 belongs to amides-buliding-blocks, auxiliary class Morpholine,Thiourea,Amine,Amide, name is Morpholine-4-carbothioamide, and the molecular formula is C7H16Cl2Si, Related Products of amides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Gompper, Rudolf published the artcile2,4-Bis(dialkylamino)-5-ethylidene-4,5-dihydro-1,3-thiazole and 2,4-bis(dimethylamino)-5-vinyl-1,3-thiazole, SDS of cas: 14294-10-1, the publication is Synthesis (1981), 647-8, database is CAplus.

Reaction of Me₂NCR:NCSR¹ (I; R = R¹ = Me₂N; R = H, R¹ = morpholino) with BrCH₂CH:CH₂ gave an azavinaminidinium salt which upon treatment with NaNH₂/NH₃ or KOCMe₃ gave the ethylidenethiazolines II, which upon heating or treatment with 4-MeC₆H₄SO₃H rearranged to III. Reaction of the azavinamidinium salt from I (R = R¹ = NMe₂) with NaH in THF gave IV (R² = H), which upon reaction with HBF₄ gave II.HBF₄ (R = H, R¹ = NMe₂) and with PhNCS gave IV (R² = PhNHCS).

Synthesis published new progress about 14294-10-1. 14294-10-1 belongs to amides-buliding-blocks, auxiliary class Morpholine,Thiourea,Amine,Amide, name is Morpholine-4-carbothioamide, and the molecular formula is C5H10N2OS, SDS of cas: 14294-10-1.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Kleinpeter, Erich published the artcileThe Interplay of Thio(seleno)amide/Vinylogous Thio(seleno)amide “Resonance” and the Anisotropic Effect of Thiocarbonyl and Selenocarbonyl Functional Groups, Recommanded Product: Morpholine-4-carbothioamide, the publication is Journal of Organic Chemistry (2005), 70(17), 6592-6602, database is CAplus and MEDLINE.

Amino-substituted thio(seleno)acrylamides 1-4 (I–IV) were synthesized and their ¹H and ¹³C NMR spectra assigned. Both the NMR data and the results of theor. calculations at the ab initio level of theory were employed to elucidate the adopted structures of the compounds in terms of E/Z isomerism and s-cis/s-trans configuration. In the case of the asym. N(Me)Ph-substituted compounds, ab initio GIAO-calculated ring current effects of the N-Ph group were applied to successfully determine the preferred conformer bias. The restricted rotations about the two C-N partial double bonds were studied by DNMR and the barriers to rotation (ΔG_c^⧧) determined at the coalescence temperatures, and these were discussed with respect to the structural differences between the compounds The barriers to rotation were also calculated at the ab initio level of theory where the best results (R² = 0.8746) were obtained only with inclusion of the solvent at the SCIPCM-HF/6-31G* level of theory. The calculations also provided means of assessing structural influences which were not available due to inaccessible rotation barriers. By means of natural bond orbital (NBO) anal. of 1-4, the occupation numbers of nitrogen lone pairs and bonding/antibonding π/π* orbitals were shown to quant. describe thio(seleno)amide/vinylogous thio(seleno)amide “resonance”. Finally, the thio(seleno)carbonyl anisotropic effect was quant. calculated by the GIAO method and visualized by isochem. shielding surfaces (ICSS). Only marginal differences between the two anisotropic effects were calculated and are therefore of questionable utility for previous and future applications with respect to stereochem. assignments.

Journal of Organic Chemistry published new progress about 14294-10-1. 14294-10-1 belongs to amides-buliding-blocks, auxiliary class Morpholine,Thiourea,Amine,Amide, name is Morpholine-4-carbothioamide, and the molecular formula is C5H10N2OS, Recommanded Product: Morpholine-4-carbothioamide.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics