95067-27-9

Basic information

• Product Name: METHYL 2-(ACETYLAMINO)-3-NITROBENZOATE
• Synonyms: METHYL 2-(ACETYLAMINO)-3-NITROBENZOATE;METHYL 2-ACETAMIDO-3-NITROBENZOATE;Methyl 2-(acetylamino)-3-nitrobenzoate, 90+%;METHYL 2-ACETAMIDO-3-NITROBENZOATE, TECH.;Methyl N-acetyl-3-nitroanthranilate
• CAS NO: 95067-27-9
• Molecular Formula: C₁₀H₁₀N₂O₅
• Molecular Weight: 238.2
• Mol File: 95067-27-9.mol
• Article Data: 4

Chemical Properties

• Melting Point: 121-122°C
• Boiling Point: 451.3 °C at 760 mmHg
• Flash Point: 226.7 °C
• Appearance: /
• Density: 1.382 g/cm³
• Vapor Pressure: 2.46E-08mmHg at 25°C
• Refractive Index: 1.598
• Storage Temp.: 2-8°C
• CAS DataBase Reference: METHYL 2-(ACETYLAMINO)-3-NITROBENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 2-(ACETYLAMINO)-3-NITROBENZOATE(95067-27-9)
• EPA Substance Registry System: METHYL 2-(ACETYLAMINO)-3-NITROBENZOATE(95067-27-9)

Safety Data

• Statements: 20/21/22
• Safety Statements: 22-24/25
• Hazardous Substances Data: 95067-27-9(Hazardous Substances Data)

Usage

General Description

Methyl 2-(acetylamino)-3-nitrobenzoate is a chemical compound with the molecular formula C11H11NO5. It is a derivative of benzoic acid and contains a nitro group, an acetylamino group, and a methyl ester group. METHYL 2-(ACETYLAMINO)-3-NITROBENZOATE is commonly used in organic synthesis and pharmaceutical research as a building block to create various molecules and compounds. It is a yellow crystalline solid at room temperature and is soluble in organic solvents such as acetone and methanol. Methyl 2-(acetylamino)-3-nitrobenzoate is also known for its potential biological and pharmacological activities and is a key component in the synthesis of certain pharmaceutical drugs.

InChI:InChI=1/C10H10N2O5/c1-6(13)11-9-7(10(14)17-2)4-3-5-8(9)12(15)16/h3-5H,1-2H3,(H,11,13)

Upstream product

• 108-24-7 acetic anhydride 
• 134-20-3 2-carbomethoxyaniline 
• 2719-08-6 methyl 2-(acetylamino)benzoate 

Downstream Products

• 5398-69-6 2-iodo-3-nitrobenzoic acid 
• 606-18-8 3-nitroanthranilic acid 
• 57113-91-4 methyl 3-nitroanthranilate 
• 942429-43-8 C₂₂H₁₈N₄O₅ 
• 942429-60-9 C₂₃H₂₁N₃O₇ 
• 942429-48-3 C₂₂H₁₈N₄O₂ 
• 942429-64-3 C₂₃H₂₁N₃O₄ 
• 908371-36-8 2'-(2-benzyloxy-phenyl)-1H,1'H-[2,4']bibenzoimidazolyl-4-carboxylic acid methyl ester 
• 908371-35-7 2-amino-3-{[2-(2-benzyloxy-phenyl)-1H-benzoimidazole-4-carbonyl]-amino}-benzoic acid methyl ester 
• 107582-20-7 2,3-diaminobenzoic acid methyl ester 
• 877070-04-7 2-[6-(3,4-dimethyl-phenyl)-pyridin-2-yl]-1H-benzoimidazole-4-carbaldehyde 
• 877070-05-8 {2-[6-(3,4-dimethyl-phenyl)-pyridin-2-yl]-1H-benzoimidazol-4-yl}-methanol 
• 877070-07-0 2-{2-[6-(3,4-dimethyl-phenyl)-pyridin-2-yl]-1H-benzoimidazol-4-ylmethylene}-malonic acid diethyl ester 

Relevant articles and documents

BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF

The present invention provides a compound represented by the formula wherein R1 is a hydrocarbon group optionally having substituent(s), amino optionally having substituent(s), hydroxy optionally having a substituent or a heterocyclic group optionally having substituent(s); R2 is a hydrogen atom or a hydrocarbon group optionally having substituent(s); Xa and Xb are each C, N, O or S; Xc and Xd are each C or N; m is 0-2; n is 1-3; ring A is a 5-membered ring optionally having substituent(s); ring B is a 6-membered ring optionally having substituent(s); and ring C is a 3- to 5-membered ring optionally having substituent(s), provided that when Xa, Xc and Xd are each C, then Xb is N or S, or a salt thereof, which is useful as an agent for the prophylaxis or treatment of a disease relating to an action of melatonin, and the like.

Non-nucleoside inhibitors of the hepatitis C virus NS5B polymerase: Discovery and preliminary SAR of benzimidazole derivatives

Benzimidazole 5-carboxamide derivatives from a combinatorial screening library were discovered as specific inhibitors of the NS5B polymerase of the hepatitis C virus (HCV). Initial hit-to-lead activities taking advantage of high-throughput parallel synthetic techniques, identified a 1,2-disubstituted benzimidazole 5-carboxylic acid scaffold as the minimum core for biological activity. Potent analogues in this series inhibit the polymerase at low micromolar concentrations and provide an attractive 'drug-like' lead structure for further optimization and the development of potential HCV therapeutics.