20877-02-5

Basic information

• Product Name: o-mercapto-N,N-dimethylbenzamide
• Synonyms: o-mercapto-N,N-dimethylbenzamide;EINECS 244-094-3;2-Mercapto-N,N-dimethylbenzamide;N,N-Dimethyl-2-mercaptobenzamide;BenzaMide, 2-Mercapto-N,N-diMethyl-;N,N-dimethyl-2-sulfanylbenzamide
• CAS NO: 20877-02-5
• Molecular Formula: C₉H₁₁NOS
• Molecular Weight: 181.25474
• EINECS: 244-094-3
• Mol File: 20877-02-5.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 324.7°Cat760mmHg
• Flash Point: 150.1°C
• Appearance: /
• Density: 1.152g/cm³
• Vapor Pressure: 0.000242mmHg at 25°C
• Refractive Index: 1.586
• PKA: 6.05±0.43(Predicted)
• CAS DataBase Reference: o-mercapto-N,N-dimethylbenzamide(CAS DataBase Reference)
• NIST Chemistry Reference: o-mercapto-N,N-dimethylbenzamide(20877-02-5)
• EPA Substance Registry System: o-mercapto-N,N-dimethylbenzamide(20877-02-5)

Safety Data

• Hazardous Substances Data: 20877-02-5(Hazardous Substances Data)

Usage

InChI:InChI=1/C9H11NOS/c1-10(2)9(11)7-5-3-4-6-8(7)12/h3-6,12H,1-2H3

Upstream product

• 1240-22-8 2-(dimethylcarbamoyl-phenyldisulfanyl)-M,N-dimethylbenzamide 
• 119-80-2 2,2'-dithiobenzoic acid 
• 19602-82-5 2,2'-dithiodibenzoic acid dichloride 
• 147-93-3 Thiosalicylic acid 
• 68-12-2 N,N-dimethyl-formamide 

Downstream Products

• 411208-40-7 N,N-dimethyl-2-(4'-methyl-2'-nitrophenylthio)benzamide 
• 886577-67-9 2-(4-benzhydrylsulfanyl-2-nitro-phenylsulfanyl)-N,N-dimethyl-benzamide 
• 2136287-66-4 7,8-difluoro-6,11-dihydrodibenzo[b,e]thiazepin-11-one 
• 606937-74-0 2-[(4-fluoro-2-nitrophenyl)thio]-N,N-dimethylbenzamide 
• 606937-71-7 2-[(2,4-dinitrophenyl)thio]-N,N-dimethylbenzamide 
• 222021-59-2 IDAM 
• 222021-57-0 5-bromo-2-[[2-[(dimethylamino)methyl]phenyl]thio]benzylalcohol 

Relevant articles and documents

Compound for preparing baloxavir or derivatives thereof as well as preparation method and application of compound

The invention relates to a preparation method of a compound shown as a formula VIII for preparing baloxavir or derivatives thereof, a compound shown as a formula I for preparing the compound shown asthe formula VIII and a preparation method of the compound shown as the formula I. The compound shown as the formula I is used for preparing the compound shown as the formula VIII, the baloxavir or thederivative thereof. The preparation method is simple and convenient to operate, and the raw materials are easily available and low in cost; reaction conditions are mild, and the method is safe and environment-friendly; side reactions are few, and the product purity is high; and the quality is controllable, and the method is suitable for industrial production.

Design, syntheses, and characterization of dioxo-molybdenum(vi) complexes with thiolate ligands: Effects of intraligand NH...S hydrogen bonding

Presence of the hydrogen bonding near a metal center can influence the properties of the complex. Here, we describe changes in redox and spectral properties in discrete dioxo-molybdenum centers coordinated by a single thiolato ligand that can support an intra-ligand hydrogen bond. We have utilized thiophenolato ligands that can harbor hydrogen bonding between the thiophenolato sulfur with an amide functionality creating either a five- or a six-membered ring. Methylation of the amide functionality removes the NH...S hydrogen bonding thus providing a basis for understanding the effect of hydrogen bonding. These thiophenolato ligands have been used in synthesizing dioxo-MoVI complexes of type Tp*MoO2(S-o-RC6H4), where R = CONHMe (11), CONMe2 (12), NHCOMe (13), and N(Me)COMe (14). The complexes have been characterized by NMR, infrared, and UV-visible spectroscopy. Spectroscopic data clearly indicate the presence of hydrogen bonding in both 11 and 13, and stronger in 13, where hydrogen bonding stabilizes a five-membered ring. All complexes exhibit a MoVI/MoV redox couple and redox potentials are modulated by the nature of H-bonding. Compound 14 with the electron-releasing N(Me)COMe group has the highest reduction potential and is more difficult to reduce. The Royal Society of Chemistry.

N-Arylpiperazinyl-N'-propylamino derivatives of heteroaryl amides as functional uroselective α1-adrenoceptor antagonists

Novel arylpiperazines were identified as α1-adrenoceptor (AR) subtype- selective antagonists by functional in vitro screening. 3-[4-(ortho- Substituted phenyl)piperazin-1:yl]propylamines were derivatized with N,N- dimethyl anthranilamides, nicotinamides, as well as carboxamides of quinoline, 1,8-naphthyridine, pyrazolo[3,4-b]pyridine, isoxazolo[3,4- b]pyridine, imidazo[4,5-b]pyridine, and pyrazolo[1,5-a]pyrimidines. Strips of rabbit bladder neck were employed as a predictive assay for antagonism in the human lower tract. Rings of rat aorta were used as a 'negative screen' for the test antagonists. Binding to α1-ARs was relatively sensitive to size and electronic features of the arylpiperazine portion of the antagonists and permissive to these features on the heteroaryl carboxamide side. These structure-affinity findings were exploited to produce nicotinamides (e.g. 13ii and 25x) and pyrazolo[3,4-b]pyridines (e.g. 37f and 37y) ligands with nanomolar affinity at the α1-AR subtype prevalent in the human lower urinary tract (pA2 values: 8.8, 10.7, 9.3, and 9.9, respectively) and displaying 2-3 orders of magnitude selectivity over the α(1D)-AR.