93970-93-5

Basic information

• Product Name: 2'',4''-DIHYDROXY-3''-METHYLBUTYROPHENONE
• Synonyms: 2'',4''-DIHYDROXY-3''-METHYLBUTYROPHENONE
• CAS NO: 93970-93-5
• Molecular Formula: C₁₁H₁₄O₃
• Molecular Weight: 194.22706
• Mol File: 93970-93-5.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 360.6°C at 760 mmHg
• Flash Point: 186.1°C
• Appearance: /
• Density: 1.162g/cm³
• Vapor Pressure: 1.06E-05mmHg at 25°C
• Refractive Index: 1.561
• CAS DataBase Reference: 2'',4''-DIHYDROXY-3''-METHYLBUTYROPHENONE(CAS DataBase Reference)
• NIST Chemistry Reference: 2'',4''-DIHYDROXY-3''-METHYLBUTYROPHENONE(93970-93-5)
• EPA Substance Registry System: 2'',4''-DIHYDROXY-3''-METHYLBUTYROPHENONE(93970-93-5)

Safety Data

• Hazardous Substances Data: 93970-93-5(Hazardous Substances Data)

Usage

General Description

2'',4''-dihydroxy-3''-methylbutyrophenone is a chemical compound with the molecular formula C10H12O4. It is a derivative of phenylbutyric acid and is commonly referred to as DMPB. 2'',4''-DIHYDROXY-3''-METHYLBUTYROPHENONE is used as a reagent in organic synthesis and as a flavoring agent in the food industry. It is also known for its antimicrobial properties and is used in the production of pharmaceuticals and personal care products. Additionally, 2'',4''-dihydroxy-3''-methylbutyrophenone has potential applications in the development of new materials and bio-based polymers due to its structural and functional properties.

InChI:InChI=1/C11H14O3/c1-3-4-10(13)8-5-6-9(12)7(2)11(8)14/h5-6,12,14H,3-4H2,1-2H3

Upstream product

• 608-25-3 2-methylbenzene-1,3-diol 
• 141-75-3 butyryl chloride 
• 109-74-0 propyl cyanide 

Downstream Products

• 1609477-32-8 4-(4-(4-butyryl-3-hydroxy-2-methylphenoxy)butoxy)-3-methylbenzoic acid 
• 1609477-29-3 3-(4-(4-butyryl-3-hydroxy-2-methylphenoxy)butoxy)-4-methoxybenzoic acid 
• 1609477-83-9 C₂₄H₃₀O₇ 
• 1609477-28-2 (4-(4-butyryl-3-hydroxy-2-methylphenoxy)butoxy)-3-methoxybenzoic acid 
• 1609477-82-8 C₂₄H₃₀O₇ 
• 1609477-30-6 3-(4-(4-butyryl-3-hydroxy-2-methylphenoxy)butoxy)-2-methylbenzoic acid 
• 1609477-84-0 C₂₄H₃₀O₆ 
• 1609477-31-7 5-(4-(4-butyryl-3-hydroxy-2-methylphenoxy)butoxy)-2-fluorobenzoic acid 
• 1609477-85-1 C₂₃H₂₇FO₆ 

Relevant articles and documents

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.

ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS

The present invention is directed to compounds which are potentiators of metabotropic glutamate receptors, including the mGluR2 receptor, and which are useful in the treatment or prevention of neurological and psychiatric disorders associated with glutama

Allosteric potentiators of the metabotropic glutamate receptor 2 (mGlu2). Part 1: Identification and synthesis of phenyl-tetrazolyl acetophenones

We have identified and synthesized a series of aryl-tetrazoyl acetophenones as positive allosteric potentiators of the metabotropic glutamate receptor 2. Structure activity relationship studies directed toward improving the potency and level of potentiation led to the discovery of 22 (EC50 = 93 nM, 128% potentiation). We have identified and synthesized a series of aryl-tetrazoyl acetophenones as positive allosteric potentiators of the metabotropic glutamate receptor 2. Structure activity relationship studies directed toward improving the potency and level of potentiation led to the discovery of 22 (EC50 = 93 nM, 128% potentiation).