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530611

3-Methylbenzofuran-2-carboxylic acid

Name: 3-Methylbenzofuran-2-carboxylic acid
Brand: ALDRICH

98%

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About This Item

Empirical Formula (Hill Notation):

C₁₀H₈O₃

CAS Number:

24673-56-1

Molecular Weight:

176.17

MDL number:

MFCD00060511

UNSPSC Code:

12352100

PubChem Substance ID:

24877763

NACRES:

NA.22

Assay

98%

mp

194-197 °C (lit.)

SMILES string

Cc1c(oc2ccccc12)C(O)=O

InChI

1S/C10H8O3/c1-6-7-4-2-3-5-8(7)13-9(6)10(11)12/h2-5H,1H3,(H,11,12)

InChI key

YMZTUCZCQMQFMK-UHFFFAOYSA-N

General description

3-Methylbenzofuran-2-carboxylic acid is a benzofuran derivative. It undergoes palladium-catalyzed cross-coupling reaction with 4-iodoanisole and diphenyliodonium triflate under different reaction conditions to form the corresponding biaryl.

Application

3-Methylbenzofuran-2-carboxylic acid may be used in the preparation of 3-methyl-N-phenylbenzofuran-2-carboxamide by reacting with aniline.

Storage Class Code

13 - Non 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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Synthesis of N-phenyl-N-(3-(piperidin-1-yl)propyl)benzofuran-2-carboxamides as new selective ligands for sigma receptors.

Karla-Sue C Marriott et al.

Bioorganic & medicinal chemistry, 20(23), 6856-6861 (2012-10-23)

Novel benzofuran-2-carboxamide ligands, which are selective for sigma receptors, have been synthesized via a microwave-assisted Perkin rearrangement reaction and a modified Finkelstein halogen-exchange used to facilitate N-alkylation. The ligands synthesized are the 3-methyl-N-phenyl-N-(3-(piperidin-1-yl)propyl)benzofuran-2-carboxamides (KSCM-1, KSCM-5 and KSCM-11). The benzofuran-2-carboxamide structure

Synthesis of biaryls via decarboxylative Pd-catalyzed cross-coupling reaction.

Becht JM, et al.

Organic Letters, 9(9), 1781-1783 (2007)

Biaryl Synthesis via Decarboxylative Pd-Catalyzed Reactions of Arenecarboxylic Acids and Diaryliodonium Triflates.

Becht JM and Drian CL.

Organic Letters, 10(14), 3161-3164 (2008)

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