946007-61-0

Basic information

• Product Name: 4-(benzyloxy)-3-cyanobenzoic acid
• Synonyms: 4-(benzyloxy)-3-cyanobenzoic acid
• CAS NO: 946007-61-0
• Molecular Formula: C₁₅H₁₁NO₃
• Molecular Weight: 253.256
• Mol File: 946007-61-0.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 464.043°C at 760 mmHg
• Flash Point: 234.445°C
• Appearance: /
• Density: 1.311g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.629
• CAS DataBase Reference: 4-(benzyloxy)-3-cyanobenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(benzyloxy)-3-cyanobenzoic acid(946007-61-0)
• EPA Substance Registry System: 4-(benzyloxy)-3-cyanobenzoic acid(946007-61-0)

Safety Data

• Hazardous Substances Data: 946007-61-0(Hazardous Substances Data)

Usage

General Description

4-(benzyloxy)-3-cyanobenzoic acid, also known as 4-(benzyloxy)benzoylacetonitrile, is a chemical compound with the molecular formula C16H11NO3. It is a cyanobenzoic acid derivative and contains both a benzyloxy and a cyano functional group. 4-(benzyloxy)-3-cyanobenzoic acid is commonly used in the pharmaceutical industry for the synthesis of various drugs and biologically active molecules. Its structure and properties make it suitable for use as a building block in organic synthesis and medicinal chemistry research. The benzyloxy group provides stability and versatility to the molecule, allowing for various functional group transformations and modifications.

InChI:InChI=1/C15H11NO3/c16-9-13-8-12(15(17)18)6-7-14(13)19-10-11-4-2-1-3-5-11/h1-8H,10H2,(H,17,18)

Upstream product

• 171050-06-9 3-cyano-4-fluorobenzoic acid 
• 100-51-6 benzyl alcohol 
• 218301-22-5 2-fluoro-5-formylbenzonitrile 
• 1042333-73-2 benzyl 4-(benzyloxy)-3-cyanobenzoate 
• 628711-07-9 benzyl 4-(benzyloxy)-3-bromobenzoate 
• 14348-41-5 3-bromo-4-hydroxy-benzoic acid 

Downstream Products

• 556836-18-1 4-benzyloxy-3-cyanobenzoyl chloride 
• 946007-64-3 2-benzyloxy-5-hydroxymethylbenzonitrile 
• 946007-65-4 2-benzyloxy-5-chloromethylbenzonitrile 
• 946007-68-7 2-benzyloxy-5-{[(4-cyanophenyl)[1,2,4]triazol-4-ylamino]methyl}benzonitrile 
• 946007-69-8 C₁₇H₁₂N₆O 
• 1309921-08-1 ethyl 3-cyano-4-benzyloxybenzoate 
• 939051-02-2 ethyl 3-cyano-4-trifluoromethanesulfonyloxybenzoate 
• 1309921-12-7 ethyl 3-cyano-4-(1-naphthyl)benzoate 
• 1042333-64-1 2-cyano-3'-fluorobiphenyl-4-carboxylic acid 
• 1309921-13-8 C₁₄H₈FNO₂ 
• 1309921-14-9 C₁₈H₁₁NO₂ 
• 1309921-03-6 3-cyano-4-phenyl-N-(1-[2-chlorophenyl]-3-phenyl-1H-pyrazol-5-yl)benzamide 
• 1309921-04-7 3-cyano-4-(3-fluorophenyl)-N-(1-[2-chlorophenyl]-3-phenyl-1H-pyrazol-5-yl)benzamide 
• 1309921-05-8 3-cyano-4-(4-fluorophenyl)-N-(1-[2-chlorophenyl]-3-phenyl-1H-pyrazol-5-yl)benzamide 

Relevant articles and documents

Design and synthesis of substituted N-(1,3-diphenyl-1H-pyrazol-5-yl) benzamides as positive allosteric modulators of the metabotropic glutamate receptor subtype 5

Based on SAR in the alkyne class of mGlu5 receptor negative allosteric modulators and a set of amide-based positive allosteric modulators, optimized substitution of the aryl bring was used to create substituted N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamides.

MODULATORS OF THE METABOTROPIC GLUTAMATE RECEPTOR SUBTYPE 5 AND USES THEREOF

Disclosed are compounds and pharmaceutically acceptable salts, which are modulators of the metabotropic glutamate receptor 5, for use in treating drug abuse and other mental disorders, for example, a compound of Formula (I), wherein X, Y, and R1/sup