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199206

Sigma-Aldrich

Methyl 4-methoxyphenylacetate

97%

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About This Item

Linear Formula:
CH3OC6H4CH2CO2CH3
CAS Number:
23786-14-3
Molecular Weight:
180.20
Beilstein:
2209665
EC Number:
245-886-1
MDL number:
MFCD00008454
UNSPSC Code:
12352100
PubChem Substance ID:
24851898
NACRES:
NA.22

Assay

97%

form

liquid

refractive index

n20/D 1.516 (lit.)

bp

158 °C/19 mmHg (lit.)

density

1.135 g/mL at 25 °C (lit.)

SMILES string

COC(=O)Cc1ccc(OC)cc1

InChI

1S/C10H12O3/c1-12-9-5-3-8(4-6-9)7-10(11)13-2/h3-6H,7H2,1-2H3

InChI key

ZQYLDVNTWDEAJI-UHFFFAOYSA-N

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Application

Methyl 4-methoxyphenylacetate was used in the synthesis of 7,8-dihydroxy-2-(4′-hydroxybenzyl)-4H-1-benzopyran-4-one.

Pictograms

Flame
GHS02

Signal Word

Warning

Hazard Statements

H226

Hazard Classifications

Flam. Liq. 3

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

96.8 °F - closed cup

Flash Point(C)

36 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Giulio Rastelli et al.
Bioorganic & medicinal chemistry, 10(5), 1427-1436 (2002-03-12)
The relative binding affinities to human aldose reductase (ALR2) of three new 7-hydroxy-2-benzyl-4H-1-benzopyran-4-one inhibitors were predicted by free energy perturbation (FEP) simulations. Molecular substitutions were specifically designed to investigate the role of hydrogen bonding at the active site of ALR2.

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