199206
Methyl 4-methoxyphenylacetate
97%
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About This Item
Linear Formula:
CH3OC6H4CH2CO2CH3
CAS Number:
Molecular Weight:
180.20
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
245-886-1
Beilstein/REAXYS Number:
2209665
MDL number:
Assay:
97%
Form:
liquid
Product Name
Methyl 4-methoxyphenylacetate, 97%
InChI key
ZQYLDVNTWDEAJI-UHFFFAOYSA-N
InChI
1S/C10H12O3/c1-12-9-5-3-8(4-6-9)7-10(11)13-2/h3-6H,7H2,1-2H3
SMILES string
COC(=O)Cc1ccc(OC)cc1
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
Quality Level
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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.
signalword
Warning
hcodes
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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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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