1641-00-5

Basic information

• Product Name: METHYL 2-(CYANOMETHOXY)BENZENECARBOXYLATE
• Synonyms: METHYL 2-(CYANOMETHOXY)BENZENECARBOXYLATE
• CAS NO: 1641-00-5
• Molecular Formula: C₁₀H₉NO₃
• Molecular Weight: 191.18
• Mol File: 1641-00-5.mol

Chemical Properties

• Melting Point: 53-55°C
• Boiling Point: 327.1°C at 760 mmHg
• Flash Point: 142.4°C
• Appearance: /
• Density: 1.185g/cm³
• Vapor Pressure: 0.000206mmHg at 25°C
• Refractive Index: 1.523
• Storage Temp.: 2-8°C
• CAS DataBase Reference: METHYL 2-(CYANOMETHOXY)BENZENECARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 2-(CYANOMETHOXY)BENZENECARBOXYLATE(1641-00-5)
• EPA Substance Registry System: METHYL 2-(CYANOMETHOXY)BENZENECARBOXYLATE(1641-00-5)

Safety Data

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: 3439
• HazardClass: IRRITANT
• Hazardous Substances Data: 1641-00-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
METHYL 2-(CYANOMETHOXY)BENZENECARBOXYLATE is used as a key intermediate in the synthesis of various pharmaceuticals for its contribution to the development of anti-inflammatory drugs and other therapeutic agents.
Used in Agrochemical Industry:
METHYL 2-(CYANOMETHOXY)BENZENECARBOXYLATE is used as a chemical intermediate in the production of agrochemicals, playing a crucial role in the synthesis of compounds that help protect crops and enhance agricultural productivity.

InChI:InChI=1/C10H9NO3/c1-13-10(12)8-4-2-3-5-9(8)14-7-6-11/h2-5H,7H2,1H3

Upstream product

• 107-14-2 chloroacetonitrile 
• 119-36-8 methyl salicylate 
• 590-17-0 cyanomethyl bromide 

Downstream Products

• 132207-26-2 2-Methoxycarbonimidoylmethoxy-benzoic acid methyl ester; hydrochloride 
• 761368-30-3 2-Methoxycarbonimidoylmethoxy-benzoic acid methyl ester 
• 1443211-72-0 4-(pyrimidin-2-ylmethyl)-7-(4-(trifluoromethoxy)phenyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one 
• 1430092-39-9 C₁₆H₁₂F₃NO₃ 
• 5755-05-5 7-bromo-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one 
• 1532534-61-4 Methyl 2-(2-(2,4-dihydroxy-5-propylphenyl)-2-oxoethoxy)benzoate 
• 1532534-35-2 methyl 2-(2-(2,4-dihydroxy-5-methylphenyl)-2-oxoethoxy)benzoate 
• 2696-05-1 C₁₆H₁₅NO₆*ClH 
• 2235-88-3 methyl 2-(2-(2,4-dihydroxyphenyl)-2-oxoethoxy)benzoate 
• 1640-98-8 methyl 2-(2-oxo-2-(2,4,6-trihydroxyphenyl)ethoxy)benzoate 
• 1532533-76-8 methyl 2-(2-(5-ethyl-2,4-dihydroxyphenyl)-2-oxoethoxy)benzoate 
• 132207-28-4 2-<(2'-carbomethoxyphenoxy)methyl>benzimidazole 
• 92437-73-5 2-<(2'-carboxyphenoxy)methyl>benzimidazole 

Relevant articles and documents

MACROCYCLIC COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE ACTIVITY AND USE THEREOF

The present invention relates to compounds, and pharmaceutically acceptable compositions thereof, useful as antagonists of indoleamine-2,3-dioxygenase (IDO) activity, and methods of treating IDO-related disorders.

Combinatorial synthesis and in vitro evaluation of a biaryl hydroxyketone library as antivirulence agents against mrsa

Antibiotic resistance coupled with decreased development of new antibiotics necessitates the search for novel antibacterial agents. Antivirulence agents offer an alternative to conventional antibiotics. In this work, we report on a family of small-molecule antivirulence agents against methicillin-resistant Staphylococcus aureus (MRSA), the most widespread bacterial pathogen. Structure-activity relationship studies led to the development of a concise synthesis of a 148-member biarylhydroxyketone library. An acylation bond-forming process afforded resorcinols (1) and aryloxy acetonitriles (2) as synthons. A Lewis-acid-activated Friedel-Crafts' acylation step involving a nitrile functionality of 2 by ZnCl2, followed by nucleophilic attack by 1 was executed to obtain biaryl hydroxyketones in excellent yields. A large number of products crystallized. This strategy affords a range of biarylhydroxyketones in a single step. This is the first collective synthetic study documenting access to this class of compounds through a single synthetic operation. In vitro efficacy of compounds in this library was evaluated by a rabbit erythrocyte hemolysis assay. The most efficacious compound, 4f-12, inhibits hemolysis by 98.1 ± 0.1% compared to control in the absence of the compound.