CAS 98-03-3 2-Thiophenecarboxaldehyde, (stabilized with HQ)

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2-Thiophenecarboxaldehyde, (stabilized with HQ)

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Catalog Number

ACM98033-1

CAS Number

98-03-3

Product Name

2-Thiophenecarboxaldehyde, (stabilized with HQ)

Structure

Category

Electroluminescence Materials; Polymers

IUPAC Name

thiophene-2-carbaldehyde

Molecular Weight

112.15g/mol

Molecular Formula

C5H4OS

Canonical SMILES

C1=CSC(=C1)C=O

InChI

InChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H

InChI Key

CNUDBTRUORMMPA-UHFFFAOYSA-N

Boiling Point

197.0 °C

Application

2-Thiophenecarboxaldehyde, stabilized with HQ, serves as a versatile chemical intermediary used in various syntheses, including the production of β-aryl-β-amino acids and urea derivatives. It acts as an arylation reagent and is instrumental in creating unsaturated ketones with applications as antiviral and cytotoxic agents. As an aldehyde featuring a formyl group in the 2-position on a thiophene ring, this compound is classified among aryl-aldehydes, noted for its unique sulfurous taste. In addition to its potential role as a biomarker for asparagus consumption, 2-Thiophenecarboxaldehyde is known as a secondary metabolite, which can function as a signaling molecule or arise from incomplete metabolic processes. Historically, it played a role in the synthesis of various antihistamines, though its primary contemporary applications include its incorporation into pharmaceuticals such as the anthelmintic pyrantel and the antihypertensive eprosartan. It is also found in medications like azosemide, a diuretic, and teniposide, an antineoplastic agent.

Complexity

72.5

Covalently-Bonded Unit Count

EC Number

202-629-8

Exact Mass

111.998286g/mol

Formal Charge

Heavy Atom Count

Log P

1.02 (LogP);1.02;1.02

MeSH Entry Terms