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About This Item
Linear Formula:
HOCH2C6H4CO2CH3
CAS Number:
Molecular Weight:
166.17
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Quality Level
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
Application
Methyl 4-(hydroxymethyl)benzoate was used in the synthesis of keto acid.
Storage Class
11 - Combustible Solids
wgk_germany
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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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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