Month: December 2022

Okawara, Tadashi published the artcileFacile synthesis of four-, five-, six-, and seven-membered heterocyclic compounds by the reaction of hydrazines and thiosemicarbazides with α- and β-halogenoacyl halides in a two-phase system, Application of 2,3-Dibromopropionylchloride, the publication is Journal of Chemical Research, Synopses (1987), 254-5, database is CAplus.

Phase-transfer cyclization of RNHNHR (I, R = Ph, Me) with R¹CHXCOCl (II, R¹ = H, X = Cl; R¹ = Me, Et, Ph, X = Br) in the presence of PhCH₂N⁺Et₃ Cl^– gave diazetidinones III (R² = R) in 20-45% yields. Cyclization of thiosemicarbazides R³NHCSNHNH₂ (R³ = Bu, cyclohexyl, PhCH₂, Ph) with ClCH₂COCl gave diazetidinones III [R = R¹ = H, R² = C(:NR³)SCOCH₂Cl] in 52-84% yields. Similar cyclization of R⁴NHCSNMeNHMe (R⁴ = Ph, cyclohexyl, 1-naphthyl) with II gave thiadiazinone derivatives IV in 52-81% yields. Cyclization of I (R = Ph) with XCH₂CR⁵R⁶COCl (V, R⁵ = H, Me, R⁶ = X = Br; R⁵ = R⁶ = Me, X = Cl) gave diphenylpyrazolinones VI. Phase-transfer cyclization of R⁷NHCSNR⁸NH₂ (R⁷ = cyclohexyl, R⁸ = H, Me) with V (R⁵ = R⁶ = Me, X = Cl) gave 1,3,4-thiadiazepines, e.g. VII, along with azetidinone derivatives

Journal of Chemical Research, Synopses published new progress about 18791-02-1. 18791-02-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is 2,3-Dibromopropionylchloride, and the molecular formula is C3H3Br2ClO, Application of 2,3-Dibromopropionylchloride.

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

Jankowiak, Aleksandra published the artcile4-Substituted 1-Acyloxypyridine-2(1 H)-thiones: Experimental and Computational Studies of the Substituent Effect on Electronic Absorption Spectra, SDS of cas: 6313-54-8, the publication is Journal of Organic Chemistry (2009), 74(19), 7441-7448, database is CAplus and MEDLINE.

A series of eight 4-substituted 1-(adamantane-1-carbonyloxy)-4-X-pyridine-2(1H)-thiones (1, X = H, OC₇H₁₅, Me, CF₃, SC₃H₇, CN, COOMe, and Cl) was prepared and characterized by UV-vis spectroscopy in MeCN and cyclohexane. The observed lowest energy transition, designated as π_CS → π*_ring, exhibits a substantial substituent effect and λ_max ranges from 333 (X = OC₇H₁₅) to 415 nm (X = CN). Exptl. λ_max values for all esters except for 1b (X = OC₇H₁₅) correlate with the σ_p^– parameter (ρ = 0.41 ± 0.03, r² = 0.95). In contrast, the energy of the absorption band at about 295 nm, designated as π_CS → π*_CS, is practically substituent independent. Both absorption bands exhibit a modest neg. solvatochromic effect. The exptl. absorption energies correlate better with excitation energies calculated for N-acetyloxy analogs 2 with the ZINDO//DFT than with the TD-DFT//DFT method. Calculations for a series of 12 N-acetates 2 predict the most blue-shifted π → π* transition for the alkoxy substituent and most red-shifted for the NO₂ group relative to the parent 2a (X = H).

Journal of Organic Chemistry published new progress about 6313-54-8. 6313-54-8 belongs to chlorides-buliding-blocks, auxiliary class Pyridine,Chloride,Carboxylic acid, name is 2-Chloroisonicotinic acid, and the molecular formula is C6H4ClNO2, SDS of cas: 6313-54-8.

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

Mandour, A. H. published the artcileSynthesis of N-(Coumarinsulfonyl)thiohydantoin and -hydantoin derivatives, Product Details of C9H5ClO4S, the publication is Afinidad (2000), 57(489), 344-348, database is CAplus.

Acylation of glycine with 6-coumarinylsulfonyl chloride or (6-nitro-3-coumarinyl)sulfonyl chloride gave N-[(coumarinyl)sulfonyl]glycine derivatives Treatment of the latter compounds with ammonium thiocyanate and acetic anhydride afforded N-[(coumarinyl)sulfonyl]-3-thiohydantoins. The key intermediates thus prepared were 1-[(2-oxo-2H-1-benzopyran-6-yl)sulfonyl]-2-thioxo-4-imidazolidinone and 1-[(6-nitro-2-oxo-2H-1-benzopyran-3-yl)sulfonyl]-2-thioxo-4-imidazolidinone. Hydrolysis of these intermediates using aqueous chloroacetic acid gave N-[(coumarinyl)sulfonyl]hydantoins. Thus, the above (thioxo)imidazolidinones were transformed into the resp. diones, 1-[(2-oxo-2H-1-benzopyran-6-yl)sulfonyl]-2,4-imidazolidinedione and 1-[(6-nitro-2-oxo-2H-1-benzopyran-3-yl)sulfonyl]-2,4-imidazolidinedione. Condensation of N-[(coumarinyl)sulfonyl]-3-thiohydantoins and N-[(coumarinyl)sulfonyl]-3-hydantoins with (arylidene)malononitrile in piperidine gave the corresponding pyrano[2,3-d]imidazolidines. Also, the condensation of the above intermediates with aromatic aldehyde led to the formation of 5(arylidene)thiohydantoins and 5-(arylidene)hydantoins. The condensation of the latter compounds with malononitrile was also carried out.

Afinidad published new progress about 10543-42-7. 10543-42-7 belongs to chlorides-buliding-blocks, auxiliary class Other Aromatic Heterocyclic,Chloride,Sulfonyl chlorides,Ester, name is Coumarin-6-sulfonyl chloride, and the molecular formula is C9H5ClO4S, Product Details of C9H5ClO4S.

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

Goncharik, V. P. published the artcileAdsorption of decamethoxin by highly disperse silica, Quality Control of 38146-42-8, the publication is Farmatsevtichnii Zhurnal (Kiev) (2000), 55-58, database is CAplus.

Adsorption of decamethoxin by silica from aqueous, physiol. and hypertonical solutions is explored. It is supposed, that the adsorption of decamethoxin from neutral and weakly alk. aqueous solutions is realized by an ionic mechanism and from weakly acidic ones it is by a mechanism based on dispersion interaction of adsorbate mols. with silica surface. In aqueous salt solutions, the adsorption of decamethoxin by silica is reversible and increases with increasing ionic strength of the solution

Farmatsevtichnii Zhurnal (Kiev) published new progress about 38146-42-8. 38146-42-8 belongs to chlorides-buliding-blocks, auxiliary class Achiral Phase-Transfer Catalysts, name is N1,N10-Bis(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-N1,N1,N10,N10-tetramethyldecane-1,10-diaminium chloride, and the molecular formula is C38H74Cl2N2O4, Quality Control of 38146-42-8.

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

Okawara, Tadashi published the artcileA facile preparation of 4-thiazolone derivatives from thioamides and various haloacyl halides in a biphase system, Category: chlorides-buliding-blocks, the publication is Chemical & Pharmaceutical Bulletin (1985), 33(8), 3479-83, database is CAplus.

The reaction of thioamides with various haloacyl halides was carried out in saturate NaHCO₃-CH₂Cl₂ and 5% NaOH-CH₂Cl₂ to give several kinds of 4-thiazolones, e.q. I, thiazin-4-one II, and spiro compounds, e.g. III. Thus, PhCSNH₂ was treated with BrCH₂CO₂Br in satd NaHCO₃-CH₂Cl₂ to give 62% I.

Chemical & Pharmaceutical Bulletin published new progress about 18791-02-1. 18791-02-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is 2,3-Dibromopropionylchloride, and the molecular formula is C3H3Br2ClO, Category: chlorides-buliding-blocks.

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

Ahn, Ki Chang published the artcileAn Immunoassay To Evaluate Human/Environmental Exposure to the Antimicrobial Triclocarban, Recommanded Product: 3-Chloro-4-fluoronitrobenzene, the publication is Environmental Science & Technology (2012), 46(1), 374-381, database is CAplus and MEDLINE.

A sensitive, competitive indirect ELISA for the detection of the antimicrobial triclocarban (TCC) was developed. The haptens were synthesized by derivatizing the para position of a Ph moiety of TCC. The rabbit antisera were screened and the combination of antiserum 1648 and a heterologous competitive hapten containing a piperidine was further characterized. The IC₅₀ and detection range for TCC in buffer were 0.70 and 0.13-3.60 ng/mL, resp. The assay was selective for TCC, providing only low cross-reactivity to TCC-related compounds and its major metabolites except for the closely related antimicrobial 3-trifluoromethyl-4,4′-dichlorocarbanilide. A liquid-liquid extraction for sample preparation of human body fluids resulted in an assay that measured low part per billion levels of TCC in small volumes of the samples. The limits of quantification of TCC were 5 ng/mL in blood/serum and 10 ng/mL in urine, resp. TCC in human urine was largely the N- or N’-glucuronide. TCC concentrations of biosolids measured by the ELISA were similar to those determined by LC-MS/MS. This immunoassay can be used as a rapid, inexpensive, and convenient tool to aid researchers monitoring human/environmental exposure to TCC to better understand the health effects.

Environmental Science & Technology published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Recommanded Product: 3-Chloro-4-fluoronitrobenzene.

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

Sachin, L. Sai published the artcileMass spectral studies on vinylic degradation products of sulfur mustards under gas chromatography/mass spectrometry conditions, Synthetic Route of 1002-41-1, the publication is European Journal of Mass Spectrometry (2015), 21(6), 791-800, database is CAplus and MEDLINE.

Sulfur mustards are a class of vesicant chem. warfare agents that rapidly degrade in environmental samples. The most feasible degradation products of sulfur mustards are chloroethyl vinylic compounds and divinylic compounds, which are formed by the elimination of one and two HCl mols. from sulfur mustards, resp. The detection and characterization of these degradation products in environmental samples are an important proof for the verification of sulfur mustard usage. In this study, we synthesized a set of sulfur mustard degradation products, i.e., divinylic compounds (1-7) and chloroethyl vinylic compounds (8-14), and characterized using gas chromatog./mass spectrometry (GC/MS) under electron ionization (EI) and chem. ionization (CI) (methane) conditions. The EI mass spectra of the studied compounds mainly included the fragment ions that resulted from homolytic cleavages with or without hydrogen migrations. The divinylic compounds (1-7) showed [M-SH]+ ions, whereas the chloroethylvinyl compounds (8-14) showed [M-Cl]+ and [M-CH2CH2Cl]+ ions. Methane/CI mass spectra showed [M+H]+ ions and provided mol. weight information. The GC retention index (RI) values were also calculated for the studied compounds The EI and CI mass spectral data together with RI values are extremely useful for off-site anal. for the verification of the chem. weapons convention and also to participate in official Organization for the Prohibition of Chem. Weapons proficiency tests.

European Journal of Mass Spectrometry published new progress about 1002-41-1. 1002-41-1 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is 1,2-Bis(2-chloroethyl)disulfane, and the molecular formula is C4H8Cl2S2, Synthetic Route of 1002-41-1.

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

Govindhan, Raman published the artcileNano Cu interaction with single amino acid tyrosine derived self-assemblies; study through XRD, AFM, confocal Raman microscopy, SERS and DFT methods, Quality Control of 42074-68-0, the publication is Journal of Physics and Chemistry of Solids (2017), 123-134, database is CAplus.

3,5-Bis(trifluoromethyl)benzylamine derivatives of single amino acid tyrosine produced self-assembled nanotubes (BTTNTs) as simple Phe-Phe. It has been observed that tyrosine derivative gives exclusively micro and nano tubes irresp. of the concentration of the precursor monomer. However, the introduced xenobiotic trifluoromethyl group (TFM) present in key backbone positions of the self assembly gives the specific therapeutic function has been highlighted. Herein this work study of such self assembled nanotubes were studied through exptl. and theor. methods. The interaction of nanocopper cluster with the nanotubes (Cu@BTTNTs) were extensively studied by various methods like XRD, AFM, confocal Raman microscopy, SERS and theor. methods like Mullikens at. charge anal. SERS reveals that the interactions of Cu cluster with NH₂, OH, NH and Ph ring π-electrons system of BTTNTs. DFT studies gave the total dipole moment values of Cu@BTTNTs and explained the nature of interaction.

Journal of Physics and Chemistry of Solids published new progress about 42074-68-0. 42074-68-0 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 2-Chlorotrityl chloride, and the molecular formula is C19H14Cl2, Quality Control of 42074-68-0.

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

Govindhan, Raman published the artcileTyrosine derivative of aminoacid produced bio inspired nanotubes and nanovesicles-synthesis and characterization, COA of Formula: C19H14Cl2, the publication is Advanced Science, Engineering and Medicine (2020), 12(6), 853-857, database is CAplus.

3,5-Bis(trifluoromethyl)benzylamine derivative of tyrosine single aminoacids have produced self-assembled peptide nanotubes and nanovesicles (BTTPNTs) depending on the concentration of the monomer study through optical and microscopic anal. DFT simulations were carried out for a system of BTTPNTs and nanovesicles which also exptl. characterized by high resolution transmission electron microscopy (HR-TEM) and UV-visible (UV-Vis) absorbance. These results are used to examine the morphologies, size of the nanostructure and study its recognition of aminoacid motif is discussed. However, the length of the nanotubes gets larger with the increases of concentration UV-Vis spectra clearly showed slight decrease in the intensity in absorption after the formation of nanotubes and nanovesicles. Theor. calculations indicate that H-bonding is the key factor in making ring while other interactions including Van der Walls force, π-π stacking plays role to making self-assembled nanotubes and vesicles.

Advanced Science, Engineering and Medicine published new progress about 42074-68-0. 42074-68-0 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 2-Chlorotrityl chloride, and the molecular formula is C19H14Cl2, COA of Formula: C19H14Cl2.

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

Blazheevs’kii, M. E. published the artcileQuantitative determination of decamethoxine in drug formulations by enzyme kinetic method, Recommanded Product: N1,N10-Bis(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-N1,N1,N10,N10-tetramethyldecane-1,10-diaminium chloride, the publication is Visnik Farmatsii (2007), 13-15, database is CAplus.

An enzyme kinetic method for the decamethoxine (DM; cationic surfactant with antimicrobial and disinfectant effects) determination by enzyme kinetic method based on DM inhibition of acetylcholine hydrolysis by cholinesterase (horse serum acyl hydrolase, EC 3.1.1.8) was developed. The indicator reaction for acetylcholine utilizes p-anisidine oxidation by peracetic acid formed in the auxiliary reaction of acetylcholine perhydrolysis with H₂O₂. The reaction product was measured by spectrophotometry at 358 nm. Comparison of the degree of inhibition of the enzymic reaction in the presence of standard and test samples allows to find the DM level in the formulation. The relative standard deviation at 1-2 μg DM/mL is ≤6%. The lower quantification limit (at 20% reaction inhibition) is 1 ng/mL. The method was used for DM detn in Septefril 0.0002 g tablets.

Visnik Farmatsii published new progress about 38146-42-8. 38146-42-8 belongs to chlorides-buliding-blocks, auxiliary class Achiral Phase-Transfer Catalysts, name is N1,N10-Bis(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-N1,N1,N10,N10-tetramethyldecane-1,10-diaminium chloride, and the molecular formula is C38H74Cl2N2O4, Recommanded Product: N1,N10-Bis(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-N1,N1,N10,N10-tetramethyldecane-1,10-diaminium chloride.

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