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495255

Sigma-Aldrich

3-Acetoxy-2-methylbenzoic acid

97%

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About This Item

Linear Formula:
CH3CO2C6H3(CH3)CO2H
CAS Number:
Molecular Weight:
194.18
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:

assay

97%

mp

149-151 °C (lit.)

SMILES string

CC(=O)Oc1cccc(C(O)=O)c1C

InChI

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

InChI key

LHVJUPHCLWIPLZ-UHFFFAOYSA-N

General description

3-Acetoxy-2-methylbenzoic acid is a benzoic acid derivative.

Application

3-Acetoxy-2-methylbenzoic acid may be used in the preparation 3-acetoxy-2-methyl-N-(4-methoxyphenyl) benzamide and (R)-N-(2,6-dichlorobenzyl)-3-[(2S,3S)-3-(3-hydroxy-2-methylbenzoyl)amino-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3- thiazolidine-4-carboxamide.

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Storage Class

13 - Non Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves


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Small-sized human immunodeficiency virus type-1 protease inhibitors containing allophenylnorstatine to explore the S2' pocket.
Hidaka K, et al.
Journal of Medicinal Chemistry, 52(23), 7604-7617 (2009)
A novel 3-acetoxy-2-methyl-N-(4-methoxyphenyl) benzamide: Molecular structural describe, antioxidant activity with use X-ray diffractions and DFT calculations.
Demir S, et al.
Journal of Molecular Structure, 1100, 582-591 (2015)

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