3816-66-8

Basic information

• Product Name: Benzonitrile, 3-hydroxy-4-methyl-
• Synonyms: Benzonitrile, 3-hydroxy-4-methyl-;3-Hydroxy-4-methylbenzonitrile;3,4-Cresotonitrile;4-Cyano-2-hydroxytoluene
• CAS NO: 3816-66-8
• Molecular Formula: C₈H₇NO
• Molecular Weight: 133.15
• Mol File: 3816-66-8.mol
• Article Data: 6

Chemical Properties

• Melting Point: 125℃
• Boiling Point: 276.9±28.0℃ (760 Torr)
• Flash Point: 121.2±24.0℃
• Appearance: /
• Density: 1.17±0.1 g/cm3 (20 ºC 760 Torr)
• Vapor Pressure: 0.003mmHg at 25°C
• Refractive Index: 1.575
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: Benzonitrile, 3-hydroxy-4-methyl-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzonitrile, 3-hydroxy-4-methyl-(3816-66-8)
• EPA Substance Registry System: Benzonitrile, 3-hydroxy-4-methyl-(3816-66-8)

Safety Data

• Hazardous Substances Data: 3816-66-8(Hazardous Substances Data)

Usage

General Description

3-Hydroxy-4-methylbenzonitrile is a chemical compound with the molecular formula C8H7NO. Typically, this compound is a light-yellow solid substance and belongs to the family of benzonitriles, which are organic compounds containing a benzene ring in which one carbon atom has been replaced by a carbon-nitrogen bond. Its common physical characteristics and properties include a moderately high boiling point, low flash point, and relatively stable reactor under normal temperatures and pressures. This substance is used in a wide range of applications, including but not limited to, pharmaceuticals, synthetic resins, and dyes productions. It should be handled with adequate safety measures due to its potential for causing skin and eye irritation, and negative impacts if inhaled or ingested.

InChI:InChI=1/C8H7NO/c1-6-2-3-7(5-9)4-8(6)10/h2-4,10H,1H3

Upstream product

• 7577-74-4 6-acetoxy-6-methylcyclohexa-2,4-dienone 
• 151-50-8 potassium cyanide 
• 60710-80-7 5-cyano-2-methylaniline 
• 939-79-7 4-cyano-2-nitrotoluene 
• 104-85-8 para-methylbenzonitrile 
• 2362-12-1 4-Bromo-2-methylphenol 
• 1188374-87-9 3-benzyloxy-4-methyl-benzonitrile 
• 42872-74-2 3-bromo-4-methyl-benzonitrile 

Downstream Products

• 586-30-1 3-hydroxy-4-methylbenzoic acid 
• 873999-89-4 5-hydroxy-4-methyl-2-nitro-benzonitrile 

Relevant articles and documents

Pd2dba3/Bippyphos: A robust catalyst system for the hydroxylation of aryl halides with broad substrate scope

A mixture of tris(dibenzylideneacetone)dipalladium(0) (Pd 2dba3) and 5-(di-tert-butylphosphino)-1′,3′, 5′-triphenyl-1′H-[1,4′]bipyrazole (Bippyphos) is shown to be a robust and efficient catalyst system for the hydroxylation of structurally diverse (hetero)aryl halides under mild conditions and with broad substrate scope. Included in this reactivity survey is the successful synthesis of substituted benzofurans and related heteroatomic derivatives, which are formed via the hydroxylation of 2-haloalkynylarenes. Notably, a significant number of the reactions reported herein proceed at room temperature, and we have demonstrated that it is possible to conduct reactions on the benchtop under air using unpurified solvents with negligible loss in reactivity versus related transformations conducted under inert atmosphere conditions. We also report herein the first crystallographically characterized (Bippyphos)Pd(II) complex, which confirms the ability of this synthetically useful ligand to adopt a bidentate binding motif in a manner similar to Buchwald's biarylphosphine ligand class. Copyright

Non-covalent thrombin inhibitors featuring P3-heterocycles with P1-monocyclic arginine surrogates

Investigations on P2-P3-heterocyclic dipeptide surrogates directed towards identification of an orally bioavailable thrombin inhibitor led us to pursue novel classes of achiral, non-covalent P1-arginine derivatives. The design, synthesis, and biological activity of inhibitors NC1-NC30 that feature three classes of monocyclic P1-arginine surrogates will be disclosed: (1) (hetero)aromatic amidines, amines and hydroxyamidines, (2) 2-aminopyrazines, and (3) 2-aminopyrimidines and 2-aminotetrahydropyrimidines.

Chalcone derivatives and drugs containing the same

PCT No. PCT/JP97/01652 Sec. 371 Date Nov. 17, 1998 Sec. 102(e) Date Nov. 17, 1998 PCT Filed May 16, 1997 PCT Pub. No. WO97/44306 PCT Pub. Date Nov. 27, 1997This invention relates to chalcone derivatives represented by the following formula (1): wherein A represents a phenyl group, a quinolyl group or the like, W represents a vinylene group or the like, and R1 to R5 each independently represent a carboxyl, cyano, alkyloxycarbonyl or like group, or salts of the chalcone derivatives, and also to drugs containing them as effective ingredients. These compounds have excellent cys-LT receptor antagonism, and are useful as antiallergic agents or the like.