544302
Methyl 4-acetylbenzoate
98%
Synonym(s):
4-Acetobenzoic acid methyl ester
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About This Item
Linear Formula:
CH3COC6H4CO2CH3
CAS Number:
Molecular Weight:
178.18
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
98%
InChI
1S/C10H10O3/c1-7(11)8-3-5-9(6-4-8)10(12)13-2/h3-6H,1-2H3
SMILES string
COC(=O)c1ccc(cc1)C(C)=O
InChI key
QNTSFZXGLAHYLC-UHFFFAOYSA-N
assay
98%
mp
93-96 °C (lit.)
functional group
ester, ketone
Quality Level
Related Categories
General description
Methyl 4-acetylbenzoate is an aromatic ketone that can be prepared from 4-bromoacetophenone.
Application
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.
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
Regulatory Information
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Regioselective Copper?Catalyzed Oxidative Cross?Coupling of Imidazo [1,2?a] pyridines with Methyl Ketones: An Efficient Route for Synthesis of 1,2?Diketones.
Lei S, et al.
Advanced Bacterial Genetics, Cold Spring Harbor, 358(1), 67-73 (2016)
Enantioselective photochemical synthesis of a ?-lactam via the solid state ionic chiral auxiliary method.
Scheffer JR and Wang K.
Synthesis, 112(08), 1253-1257 (2001)
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