3609-53-8

Basic information

• Product Name: METHYL 4-ACETYLBENZOATE
• Synonyms: RARECHEM AL BF 0879;METHYL 4-ACETYLBENZOATE;4-ACETOBENZOIC ACID METHYL ESTER;4-ACETYLBENZOIC ACID METHYL ESTER;Methyl4-acetylbenzoate,99%;p-Acetylbenzoic acid methyl ester;Methyl 4-acetylbenzoate,4-Acetobenzoic acid methyl ester;4-Acetyl Methyl benzoate
• CAS NO: 3609-53-8
• Molecular Formula: C₁₀H₁₀O₃
• Molecular Weight: 178.18
• Product Categories: Aromatic Esters
• Mol File: 3609-53-8.mol
• Article Data: 106

Chemical Properties

• Melting Point: 93-96 °C(lit.)
• Boiling Point: 270.41°C (rough estimate)
• Flash Point: 129.3 °C
• Appearance: White to pale yellow/Amorphous Powder
• Density: 1.1601 (rough estimate)
• Vapor Pressure: 0.00151mmHg at 25°C
• Refractive Index: 1.5190 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• CAS DataBase Reference: METHYL 4-ACETYLBENZOATE(CAS DataBase Reference)
• NIST Chemistry Reference: METHYL 4-ACETYLBENZOATE(3609-53-8)
• EPA Substance Registry System: METHYL 4-ACETYLBENZOATE(3609-53-8)

Safety Data

• Hazard Codes: Xi
• Safety Statements: 24/25
• WGK Germany: 3
• Hazardous Substances Data: 3609-53-8(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 3609-53-8 differently. You can refer to the following data:
1. Methyl 4-acetylbenzoate is an aromatic ketone that can be prepared from 4-bromoacetophenone. Methyl 4-acetylbenzoate may be used in the preparation of 4-methoxycarbonyl-α-oxo-benzeneacetic acid and methyl 4-(2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoacetyl)benzoate. Methyl 4-Acetylbenzoate is used in the preparation of trisubstituted pyrazoles as novel hepatitis C virus entry inhibitors.
2. Methyl 4-acetylbenzoate may be used in the preparation of 4-methoxycarbonyl-α-oxo-benzeneacetic acid and methyl 4-(2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoacetyl)benzoate.

Chemical Properties

WHITE TO PALE YELLOW AMORPHOUS POWDER

General Description

Methyl 4-acetylbenzoate is an aromatic ketone that can be prepared from 4-bromoacetophenone.

InChI:InChI=1/C10H10O3/c1-7(11)8-3-5-9(6-4-8)10(12)13-2/h3-6H,1-2H3

Upstream product

• 57031-51-3 Methyl-tert.-butylperoxyoxalat 
• 98-86-2 acetophenone 
• 67-56-1 methanol 
• 201230-82-2 carbon monoxide 
• 109613-00-5 4-acetophenyl triflate 
• 133042-62-3 4-acetylphenyl sulfurofluoridate 
• 1076-96-6 methyl 4-vinylbenzoate 
• 111-34-2 -butyl vinyl ether 
• 619-42-1 4-methoxycarbonylphenyl bromide 
• 99-90-1 para-bromoacetophenone 
• 186581-53-3 diazomethane 
• 686279-61-8 4-[(2α,3aα,7aα)-octahydro-1H-inden-2-ylacetyl]benzoic acid 
• 686279-51-6 methyl 4-[(2α,3aα,7aα)-octahydro-1H-inden-2-yl-acetyl]benzoate 
• 51624-34-1 1-chloro-3-(2-phenylethynyl)benzene 

Downstream Products

• 117100-41-1 dimethyl 5'-(4-(methoxycarbonyl)phenyl)-[1,1:3,1''-terphenyl]-4,4''-dicarboxylate 
• 102078-13-7 4,4'-(1-methyl-3-oxo-propenediyl)-di-benzoic acid dimethyl ester 
• 84851-56-9 methyl 4-(1-hydroxy ethyl)benzoate 
• 114431-72-0 (E)-methyl 4-(3-(dimethylamino)acryloyl)benzoate 
• 199188-36-8 4-(1-(trifluoromethanesulfonyloxy)vinyl)benzoic acid methyl ester 
• 205489-45-8 C₁₀⁽¹³⁾CH₁₂O₂ 
• 205489-44-7 2-(4-methylbenzoate)-1-propene-1,1-d2 
• 360789-45-3 4-Methoxycarbonyl-α-oxo-benzeneacetic acid 
• 22744-13-4 4-(2-diazoacetyl)benzoic acid methyl ester 
• 79322-76-2 methyl 4-[(1S)-1-hydroxyethyl]benzoate 
• 98946-48-6 4-(2-oxoacetyl)methyl benzoate 
• 701215-21-6 methyl 4-[3-(dimethylamino)-1-oxo-2-propen-1-yl]benzoate 
• 917771-41-6 4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzoic acid methyl ester 
• 80463-22-5 4-(1-hydroxyethyl)benzyl alcohol 

Relevant articles and documents

Reaction of naphthalene-2,3-dicarbaldehyde with cyanide; a unique oxidative condensation product

Naphthalene-2,3-dicarbaldehyde (NDA), a reagent used for the fluorescent detection of amino acids in the presence of cyanide, self-condenses in the presence of cyanide ion and methanol at room temperature to yield a unique crystalline product 2, 15-hydroxybenzo[g]benzo[6,7]isochromeno[4,3-c]isochromen- 7(15H)-one. The product is proposed to result from facile air oxidation of NDA to a methyl ester in combination with benzoin condensation. Product 2 does not to form in the absence of air. The gHMBC spectrum of 2 distinguishes it from a possible alternative isomeric condensation product.

Visible light-mediated, high-efficiency oxidation of benzyl to acetophenone catalyzed by fluorescein

An environmentally friendly aerobic oxidation of benzyl C(sp3)-H bonds to ketones via selective oxidation catalysis was developed. Fluorescein is an efficient photocatalyst with excellent chemical selectivity. The reaction has a wide substrate scope, and a successful gram-scale experiment demonstrated its potential industrial utility.

Metal- And additive-free C-H oxygenation of alkylarenes by visible-light photoredox catalysis

A metal- and additive-free methodology for the highly selective, photocatalyzed C-H oxygenation of alkylarenes under air to the corresponding carbonyls is presented. The process is catalyzed by an imide-acridinium that forms an extremely strong photooxidant upon visible light irradiation, which is able to activate inert alkylarenes such as toluene. Hence, this is an easy to perform, sustainable and environmentally friendly oxidation that provides valuable carbonyls from abundant, readily available compounds.