CAS 2689-68-1

3-Thiophenecarboxylic acid, tetrahydro-4-oxo-, methyl ester

Description:

3-Thiophenecarboxylic acid, tetrahydro-4-oxo-, methyl ester, with the CAS number 2689-68-1, is an organic compound characterized by its thiophene ring structure, which is a five-membered aromatic ring containing sulfur. This compound features a carboxylic acid functional group that is esterified with methanol, resulting in a methyl ester. The presence of the tetrahydro-4-oxo group indicates that the compound has undergone hydrogenation, leading to a saturated cyclic structure with a carbonyl group. This compound is typically used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its properties include moderate solubility in organic solvents and potential reactivity due to the presence of both the ester and carbonyl functionalities. The thiophene moiety contributes to its aromatic character, which can influence its chemical reactivity and interactions with other substances. Overall, this compound exemplifies the diverse chemistry associated with thiophene derivatives and their applications in various fields.

Formula: C₆H₈O₃S

InChI: InChI=1S/C6H8O3S/c1-9-6(8)4-2-10-3-5(4)7/h4H,2-3H2,1H3

InChI key: InChIKey=LEAKUJFYXNILRB-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1C(=O)CSC1

Synonyms:

• 3-Thiophenecarboxylic acid, tetrahydro-4-oxo-, methyl ester
• 3-Thiophenecarboxylicacid,Tetrahydro-4-Oxo-,Methylester
• 4-Carbomethoxy-2,3,4,5-tetrahydro-3-thiophenone
• 4-Carbomethoxy-3-thiophanone
• 4-Oxotetrahydrothiophene-3-carboxylic acid methyl ester
• Methyl 4-oxo-2,3,4,5-tetrahydrothiophene-3-carboxylate
• Methyl 4-oxotetrahydrothienyl-3-carboxylate
• Methyl tetrahydro-4-oxo-3-thenoate
• Methyl tetrahydro-4-oxo-3-thiophenecarboxylate
• Nsc 127560
• Tetrahydro-4-oxo-3-thiophenecarboxylic acid methyl ester

Methyl 4-oxotetrahydrothiophene-3-carboxylate

CAS: 2689-68-1

Formula: C₆H₈O₃S

Purity: 95%

Color and Shape: Solid

Molecular weight: 160.1909

Ref: IN-DA0035UH

Methyl 4-oxotetrahydrothiophene-3-carboxylate

CAS: 2689-68-1

Methyl 4-oxotetrahydrothiophene-3-carboxylate

Formula: C₆H₈O₃S

Purity: 97%

Color and Shape: low melting solid

Molecular weight: 160.19g/mol

Ref: 54-OR25037

Methyl 4-Oxotetrahydrothiophene-3-carboxylate

CAS: 2689-68-1

Formula: C₆H₈O₃S

Purity: 95%

Color and Shape: Low Melting Solid

Molecular weight: 160.19

Ref: 10-F042131

Tetrahydro-4-oxo-3-thiophenecarboxylic Acid Methyl Ester

Controlled Product

CAS: 2689-68-1

Applications Used in the preparation of a new class of neuroleptic agents.
References Chakrabarti, J. et al.; J. Med. Chem., 23, 884 (1980); Press, J. et al.; J. Med. Chem., 22, 725 (1979)

Formula: C₆H₈O₃S

Color and Shape: Neat

Molecular weight: 160.19

Ref: TR-T294170