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667994

Sigma-Aldrich

3-Methyl-2-furoic acid

97%

Synonym(s):

3-Methylfuran-2-carboxylic acid

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About This Item

Empirical Formula (Hill Notation):
C6H6O3
CAS Number:
4412-96-8
Molecular Weight:
126.11
EC Number:
224-571-2
MDL number:
MFCD00014111
UNSPSC Code:
12352100
PubChem Substance ID:
24884952
NACRES:
NA.22

Quality Level

100

assay

97%

form

solid

mp

134-138 °C

SMILES string

Cc1ccoc1C(O)=O

InChI

1S/C6H6O3/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H,7,8)

InChI key

BNYIQEFWGSXIKQ-UHFFFAOYSA-N

Related Categories

Application

Used in a palladium-catalyzed cross-coupling between heteroaryl carboxylic acids and aryl bromides leading to arylated heterocycles. Also used in a palladium-catalyzed asymmetric hydrogenation.

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_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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J. Catal., 226, 52-52 (2003)
Pat Forgione et al.
Journal of the American Chemical Society, 128(35), 11350-11351 (2006-08-31)
Aryl-substituted five-membered heteroaromatics have attracted great interest over the past years due to their presence in a large number of pharmaceuticals and natural products. Recently, an advance in the preparation of these scaffolds was achieved by employing a C-H functionalization

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