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266477

Sigma-Aldrich

Methyl 4-(hydroxymethyl)benzoate

98%

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About This Item

Linear Formula:
HOCH2C6H4CO2CH3
CAS Number:
6908-41-4
Molecular Weight:
166.17
EC Number:
230-017-0
MDL number:
MFCD00009984
UNSPSC Code:
12352100
PubChem Substance ID:
24856142
NACRES:
NA.22

Quality Level

100

Assay

98%

form

solid

mp

47-50 °C (lit.)

solubility

chloroform: 25 mg/mL, clear, colorless to faint yellow or tan

functional group

ester
hydroxyl

SMILES string

COC(=O)c1ccc(CO)cc1

InChI

1S/C9H10O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5,10H,6H2,1H3

InChI key

VBWFYEFYHJRJER-UHFFFAOYSA-N

Related Categories

Application

Methyl 4-(hydroxymethyl)benzoate was used in the synthesis of keto acid.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
74296PMV
74296PM
01821CH
24630EE
14920EZ

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Stefania Colarusso et al.
Bioorganic & medicinal chemistry letters, 12(4), 705-708 (2002-02-15)
N-terminal truncation of the hexapeptide ketoacid 1 gave rise to potent tripeptide inhibitors of the hepatitis C virus NS3 protease/NS4A cofactor complex. Optimization of these tripeptides led to ketoacid 30 with an IC50 of 0.38 microM. The SAR of these

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