39652-80-7

Basic information

• Product Name: 1-Butanone, 2-methyl-1-(2,4,6-trihydroxyphenyl)-
• CAS NO: 39652-80-7
• Molecular Formula: C11H14O4
• Molecular Weight: 210.23
• Mol File: 39652-80-7.mol
• Article Data: 16

Chemical Properties

• CAS DataBase Reference: 1-Butanone, 2-methyl-1-(2,4,6-trihydroxyphenyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Butanone, 2-methyl-1-(2,4,6-trihydroxyphenyl)-(39652-80-7)
• EPA Substance Registry System: 1-Butanone, 2-methyl-1-(2,4,6-trihydroxyphenyl)-(39652-80-7)

Safety Data

• Hazardous Substances Data: 39652-80-7(Hazardous Substances Data)

Upstream product

• 116-53-0 2-Methylbutanoic acid 
• 108-73-6 3,5-dihydroxyphenol 
• 2999-40-8 1,3,5-triacetoxybenzene 
• 27763-54-8 (S)-2-methylbutanoyl chloride 
• 1730-91-2 (S)-2-Methylbutyric acid 
• 1565-80-6 (2S)-2-methyl-1-butanol 
• 5856-79-1 iso-butyl chloroformate 

Downstream Products

• 1333469-53-6 (S)-1-(2,4-bis((tert-butyldimethylsilyl)oxy)-6-hydroxyphenyl)-2-methylbutan-1-one 
• 1131366-95-4 (2S)-1-(2-(((2E)-3,7-dimethylocta-2,6-dien-1-yl)oxy)-4,6-dihydroxy-phenyl)-2-methylbutan-1-one 
• 4374-92-9 4-deoxyadhumulone 
• 71539-60-1 2-methyl-1-(2,4,6-trihydroxy-3-(3-methylbut-2-enyl)phenyl)butan-1-one 
• 72008-06-1 (E)-1-(3-(3,7-dimethylocta-2,6-dien-1-yl)-2,4,6-trihydroxyphenyl)-2-methylbutan-1-one 
• 55576-66-4 agrimol B 

Relevant articles and documents

Tricyclic Acylphloroglucinols from Hypericum lanceolatum and Regioselective Synthesis of Selancins A and B

The chemical investigation of the chloroform extract of Hypericum lanceolatum guided by 1H NMR, ESIMS, and TLC profiles led to the isolation of 11 new tricyclic acylphloroglucinol derivatives, named selancins A-I (1-9) and hyperselancins A and

Derivatives of Natural Product Agrimophol as Disruptors of Intrabacterial pH Homeostasis in Mycobacterium tuberculosis

This article reports the rational medicinal chemistry of a natural product, agrimophol (1), as a new disruptor of intrabacterial pH (pHIB) homeostasis in Mycobacterium tuberculosis (Mtb). Through the systematic investigation of the structure-activity relationship of 1, scaffold-hopping of the diphenylmethane scaffold, pharmacophore displacement strategies, and studies of the structure-metabolism relationship, a new derivative 5a was achieved. Compound 5a showed 100-fold increased potency in the ability to reduce pHIB to pH 6.0 and similarly improved mycobactericidal activity compared with 1 against both Mycobacterium bovis-BCG and Mtb. Compound 5a possessed improved metabolic stability in human liver microsomes and hepatocytes, lower cytotoxicity, higher selectivity index, and similar pKa value to natural 1. This study introduces a novel scaffold to an old drug, resulting in improved mycobactericidal activity through decreasing pHIB, and may contribute to the critical search for new agents to overcome drug resistance and persistence in the treatment of tuberculosis.

Synthesis and antibacterial activity of new symmetric polyoxygenated dibenzofurans

A series of symmetric polyoxygenated dibenzofurans with 2-methylbutyril moieties at C-4 and C-6 were obtained from commercial phloroglucinol through a sequence of reactions that include monoacylation, iodination, Suzuki-Miyaura coupling, oxidative dimeriz