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667994

3-Methyl-2-furoic acid

Name: 3-Methyl-2-furoic acid
Brand: ALDRICH

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

NACRES:

NA.22

PubChem Substance ID:

24884952

UNSPSC Code:

12352100

EC Number:

224-571-2

MDL number:

MFCD00014111

Assay:

97%

Form:

solid

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Properties

Quality Level

100

assay

97%

form

solid

mp

134-138 °C

functional group

carboxylic acid

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

Description

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

GHS07

signalword

Warning

hcodes

H315,H319,H335

pcodes

P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338

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

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Unexpected intermolecular pd-catalyzed cross-coupling reaction employing heteroaromatic carboxylic acids as coupling partners.

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

J. Catal., 226, 52-52 (2003)

Global Trade Item Number

SKU	GTIN
667994-1G	04061826699928
667994-5G	04061833358122