57009-12-8

Basic information

• Product Name: METHYL 3-ACETYL-4-HYDROXYBENZOATE
• Synonyms: EOS-61538
• CAS NO: 57009-12-8
• Molecular Formula: C₁₀H₁₀O₄
• Molecular Weight: 194.18
• Product Categories: Aromatic Cinnamic Acids, Esters and Derivatives
• Mol File: 57009-12-8.mol
• Article Data: 19

Chemical Properties

• Melting Point: 98 °C
• Boiling Point: 331.5°C at 760 mmHg
• Flash Point: 131.5°C
• Appearance: /
• Density: 1.234g/cm³
• Vapor Pressure: 8.05E-05mmHg at 25°C
• Refractive Index: 1.547
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 8.55±0.18(Predicted)
• CAS DataBase Reference: METHYL 3-ACETYL-4-HYDROXYBENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 3-ACETYL-4-HYDROXYBENZOATE(57009-12-8)
• EPA Substance Registry System: METHYL 3-ACETYL-4-HYDROXYBENZOATE(57009-12-8)

Safety Data

• Hazardous Substances Data: 57009-12-8(Hazardous Substances Data)

Usage

Uses

Methyl 3-Acetyl-4-hydroxybenzoate is used to prepare and study structure-activity relationships of 2-(1-adamantyl)-4-(thio)chromenone-6-carboxylic acids as potent reversible inhibitors of human steroid sulfatase.

InChI:InChI=1/C10H10O4/c1-6(11)8-5-7(10(13)14-2)3-4-9(8)12/h3-5,12H,1-2H3

Upstream product

• 67-56-1 methanol 
• 201230-82-2 carbon monoxide 
• 1450-75-5 5-Bromo-2-hydroxyacetophenone 
• 2345-34-8 4-acetyloxy-benzoic acid 
• 111-34-2 -butyl vinyl ether 
• 29415-97-2 methyl 3-bromo-4-hydroxybenzoate 
• 99-76-3 methyl 4-hydroxylbenzoate 
• 4869-46-9 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidine-5-carbaldehyde 
• 123-54-6 acetylacetone 
• 90330-49-7 3-(methoxymethylene)-2,4-bis(trimethylsilyloxy)-1,4-pentadiene 
• 922-67-8 propynoic acid methyl ester 
• 71407-97-1 methyl 3-acetyl-4-hydroxy-6-amino benzoate 
• 24262-66-6 methyl 4-acetoxybenzoate 
• 16357-40-7 3-acetyl-4-hydroxybenzoic acid 

Downstream Products

• 16357-40-7 3-acetyl-4-hydroxybenzoic acid 
• 71407-98-2 3-acetyl-5-bromo-4-hydroxybenzoic acid 
• 65843-60-9 methyl 3-acetyl-4-(benzyloxy)benzoate 
• 1326774-90-6 4-hydroxy-3-(3'-hydroxy-3',7'-dimethyl-oct-6'-enoyl)benzoic acid methyl ester 
• 1326775-00-1 (E/Z)-3-(3',7'-dimethylocta-2',6'-dienoyl)-4-hydroxybenzoic acid methyl ester 
• 1326774-91-7 3-(1',3'-dihydroxy-3',7'-dimethyl-oct-6'-en-1'-yl)-4-hydroxybenzoic acid methyl ester 
• 1326774-92-8 3-(1',3'-dihydroxy-3',7'-dimethyl-oct-6'-en-1'-yl)-4-hydroxybenzoic acid 
• 1296272-05-3 8-(1-(S)-(3,5-difluorophenylamino)ethyl)-N,N-dimethyl-2-((S)-2-methylmorpholino)-4-oxo-4H-chromene-6-carboxamide 
• 1296272-04-2 8-(1-(R)-(3,5-difluorophenylamino)ethyl)-N,N-dimethyl-2-((S)-2-methylmorpholino)-4-oxo-4H-chromene-6-carboxamide 
• 1296272-03-1 8-(1-(S)-(3,5-difluorophenylamino)ethyl)-N,N-dimethyl-2-((R)-2-methylmorpholino)-4-oxo-4H-chromene-6-carboxamide 
• 1296272-02-0 8-(1-(R)-(3,5-difluorophenylamino)ethyl)-N,N-dimethyl-2-((R)-2-methylmorpholino)-4-oxo-4H-chromene-6-carboxamide 
• 1296271-97-0 N,N-dimethyl-2-morpholino-4-oxo-8-(1-(2,3,5-trifluorophenylamino)ethyl)-4H-chromene-6-carboxamide 
• 1296270-73-9 8-(1-(3,5-dichlorophenylamino)ethyl)-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide 
• 1296270-70-6 8-(1-(3-fluoro-5-methoxyphenylamino)ethyl)-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide 

Relevant articles and documents

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Synthesis of (3-(2-aminopyrimidin-4-yl)-4-hydroxyphenyl)phenyl methanone analogues as inhibitors of vascular endothelial growth factor receptor-2 kinase

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Discovery of (R)-8-(1-(3,5-difluorophenylamino)ethyl)- N, N -dimethyl-2-morpholino-4-oxo-4 H -chromene-6-carboxamide (AZD8186): A potent and selective inhibitor of PI3Kβ and PI3Kδ for the treatment of PTEN-deficient cancers

Several studies have highlighted the dependency of PTEN deficient tumors to PI3Kβ activity and specific inhibition of PI3Kδ has been shown activity against human B-cell cancers. We describe the discovery and optimization of a series of 8-(1-anilino)ethyl)-2-morpholino-4-oxo-4H-chromene-6-carboxamides as PI3Kβ/δ inhibitors, which led to the discovery of the clinical candidate 13, also known as AZD8186. On the basis of the lower lipophilicity of the chromen-4-one core compared to the previously utilized pyrido[1,2-a]pyrimid-4-one core, this series of compounds displayed high metabolic stability and suitable physical properties for oral administration. Compound 13 showed profound pharmacodynamic modulation of p-Akt in PTEN-deficient PC3 prostate tumor bearing mice after oral administration and showed complete inhibition of tumor growth in the mouse PTEN-deficient PC3 prostate tumor xenograft model. 13 was selected as a clinical candidate for treatment of PTEN-deficient cancers and has recently entered phase I clinical trials.