791821-94-8

Basic information

• Product Name: Benzonitrile, 2-[(2-hydroxy-5-methylphenyl)methyl]- (9CI)
• Synonyms: Benzonitrile, 2-[(2-hydroxy-5-methylphenyl)methyl]- (9CI)
• CAS NO: 791821-94-8
• Molecular Formula: C₁₅H₁₃NO
• Molecular Weight: 223.26982
• Product Categories: METHYL
• Mol File: 791821-94-8.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Benzonitrile, 2-[(2-hydroxy-5-methylphenyl)methyl]- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzonitrile, 2-[(2-hydroxy-5-methylphenyl)methyl]- (9CI)(791821-94-8)
• EPA Substance Registry System: Benzonitrile, 2-[(2-hydroxy-5-methylphenyl)methyl]- (9CI)(791821-94-8)

Safety Data

• Hazardous Substances Data: 791821-94-8(Hazardous Substances Data)

Upstream product

• 3433-80-5 1-Bromo-2-bromomethyl-benzene 
• 850355-33-8 2-(2-benzyloxy-5-methyl-benzyl)-benzonitrile 
• 5468-74-6 2-(2-bromo-benzyl)-4-methyl-phenol 
• 6279-34-1 1-bromo-2-((p-tolyloxy)methyl)benzene 
• 95-46-5 2-methylphenyl bromide 

Downstream Products

• 791821-95-9 4-methyl-2-[(2-formylphenyl)methyl]phenol 

Relevant articles and documents

Intramolecular 9-membered hydrogen bonding of 2-arylmethylphenols having carbonyl groups at 2′-position

Thermodynamic parameters of nine-membered intramolecular hydrogen bonding between carbonyl groups and phenolic hydroxyl groups of 2-arylmethylphenols having methoxycarbonyl, dimethylcarbamoyl, and formyl groups were determined by variable temperature 1H NMR studies and van't Hoff analysis. The enthalpy of the hydrogen bonding was related to the electron-withdrawing ability of the substituents on the phenol and the basicity of the carbonyl group. The entropy loss of the hydrogen bonding was dependent on the rotation freedom of the phenol group. The enthalpy of nine-membered intramolecular hydrogen bonding between carbonyl groups and phenolic hydroxyl groups of 2-arylmethylphenols was related to the electron-withdrawing ability of the substituents on the phenol and the basicity of the carbonyl group. The entropy loss was dependent on the rotation freedom of the phenol group.