40991-98-8

Basic information

• Product Name: 1-(2-hydroxy-4-methylphenyl)butan-1-one
• Synonyms: 1-(2-hydroxy-4-methylphenyl)butan-1-one
• CAS NO: 40991-98-8
• Molecular Weight: 178.231
• Mol File: 40991-98-8.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 1-(2-hydroxy-4-methylphenyl)butan-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(2-hydroxy-4-methylphenyl)butan-1-one(40991-98-8)
• EPA Substance Registry System: 1-(2-hydroxy-4-methylphenyl)butan-1-one(40991-98-8)

Safety Data

• Hazardous Substances Data: 40991-98-8(Hazardous Substances Data)

Upstream product

• 108-39-4 3-methyl-phenol 
• 107-92-6 butyric acid 
• 4160-52-5 1-(4-methylphenyl)butan-1-one 
• 141-75-3 butyryl chloride 
• 100-84-5 1-methoxy-3-methyl-benzene 
• 7476-80-4 m-tolyl butyrate 

Relevant articles and documents

Broadening the catalyst and reaction scope of regio- and chemoselective C-H oxygenation: A convenient and scalable approach to 2-acylphenols by intriguing Rh(ii) and Ru(ii) catalysis

A unique Rh(ii) and Ru(ii) catalyzed C-H oxygenation of aryl ketones and other arenes has been developed for the facile synthesis of diverse functionalized phenols. The reaction demonstrates excellent reactivity, regio- and chemoselectivity, good functional group compatibility and high yields. The practicality of this method has been proved by gram-scale synthesis of a few different 2-acylphenols. Its utility has been well exemplified in further applications in heterocycle synthesis and direct modifications of drug Fenofibrate.

Comparisons of O-acylation and Friedel-Crafts acylation of phenols and acyl chlorides and Fries rearrangement of phenyl esters in trifluoromethanesulfonic acid: Effective synthesis of optically active homotyrosines

Reactions involving phenol derivatives and acyl chlorides have to be controlled for competitive O-acylations and C-acylations (Friedel-Crafts acylations and Fries rearrangements) in acidic condition. The extent for these reactions in trifluoromethanesulfonic acid (TfOH), which is used as catalyst and solvent, is examined. Although diluted TfOH was needed for effective O-acylation, concentrated TfOH was required for effective C-acylations in mild condition. These results have been applied to the novel synthesis of homotyrosine derivatives. Both Fries rearrangement of N-TFA-Asp(OBn)-OMe and Friedel-Crafts acylation of phenol with N-TFA-Asp(Cl)-OMe in TfOH afforded the homotyrosine skeleton, followed by reduction and deprotection afforded homotyrosines maintaining stereochemistry of Asp as an optically pure form.