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199206

Methyl 4-methoxyphenylacetate

Name: Methyl 4-methoxyphenylacetate
Brand: ALDRICH

97%

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About This Item

Linear Formula:

CH₃OC₆H₄CH₂CO₂CH₃

CAS Number:

23786-14-3

Molecular Weight:

180.20

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24851898

EC Number:

245-886-1

Beilstein/REAXYS Number:

2209665

MDL number:

MFCD00008454

Assay:

97%

Form:

liquid

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Properties

Quality Level

100

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.)

functional group

ester

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

Description

Application

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

pictograms

GHS02

signalword

Warning

hcodes

H226

pcodes

P210 - P233 - P240 - P241 - P242 - P243

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

96.8 °F - closed cup

flash_point_c

36 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

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Binding of 1-benzopyran-4-one derivatives to aldose reductase: a free energy perturbation study.

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.

Global Trade Item Number

SKU	GTIN
199206-25G	04061838763068