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Merck
CN

307270

Benzofuran-2-carboxylic acid

99%

Synonym(s):

Coumarilic acid, Coumarone-2-carboxylic acid

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About This Item

Empirical Formula (Hill Notation):
C9H6O3
CAS Number:
496-41-3
Molecular Weight:
162.14
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24858579
EC Number:
207-818-9
Beilstein/REAXYS Number:
124204
MDL number:
MFCD00005848

Key Documents

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Product Name

Benzofuran-2-carboxylic acid, 99%

InChI key

OFFSPAZVIVZPHU-UHFFFAOYSA-N

InChI

1S/C9H6O3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)

SMILES string

OC(=O)c1cc2ccccc2o1

assay

99%

mp

193-196 °C (lit.)

functional group

carboxylic acid

Quality Level

100

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Related Categories

Application

Benzofuran-2-carboxylic acid was used in the synthesis of the oxymethyl-modified coumarinic acid-based cyclic DADLE (H-Tyr-D-Ala-Gly-Phe-D-Leu-OH) prodrug.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
SDBB0294
STBC9864V
STBC7518V
STBC6781V
STBD2593V

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Yibin Xiang et al.
Bioorganic & medicinal chemistry letters, 21(10), 3050-3056 (2011-04-22)
Novel benzofuran-2-carboxylic acids, exemplified by 29, 38 and 39, have been discovered as potent Pim-1 inhibitors using fragment based screening followed by X-ray structure guided medicinal chemistry optimization. The compounds demonstrate potent inhibition against Pim-1 and Pim-2 in enzyme assays.
H Ouyang et al.
The journal of peptide research : official journal of the American Peptide Society, 59(4), 183-195 (2002-04-26)
The coumarinic acid-based cyclic DADLE (H-Tyr-D-Ala-Gly-Phe-D-Leu-OH) prodrug 1a exhibited more favorable physicochemical properties than did DADLE for permeation across the intestinal mucosa. However, prodrug 1a, whose bioconversion to DADLE was slow, was subject to extensive biliary clearance when administered to

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