Cas no 13657-90-4 (3-ACETYLTHIOPHENE-2-CARBOXYLIC ACID)

3-Acetylthiophene-2-carboxylic acid is a versatile heterocyclic compound featuring both acetyl and carboxylic acid functional groups on a thiophene backbone. This structure imparts reactivity suitable for various synthetic applications, particularly in pharmaceutical and agrochemical intermediates. The presence of the electron-withdrawing acetyl group enhances the acidity of the carboxylic moiety, facilitating nucleophilic substitution or condensation reactions. Its thiophene core contributes to stability and compatibility with cross-coupling methodologies, making it valuable in organometallic chemistry. The compound's dual functionality allows for selective derivatization, enabling tailored modifications for target molecules. It is commonly utilized in the synthesis of bioactive compounds, offering a balance of reactivity and structural diversity for advanced chemical research.
3-ACETYLTHIOPHENE-2-CARBOXYLIC ACID structure
13657-90-4 structure
Product Name:3-ACETYLTHIOPHENE-2-CARBOXYLIC ACID
CAS No:13657-90-4
MF:C7H6O3S
MW:170.185740947723
CID:901258
PubChem ID:818927
Update Time:2025-08-02

3-ACETYLTHIOPHENE-2-CARBOXYLIC ACID Chemical and Physical Properties

Names and Identifiers

    • 3-ACETYLTHIOPHENE-2-CARBOXYLIC ACID
    • 3-acetyl-2-thiophenecarboxylic acid
    • 3-acetyl-thiophene-2-carboxylic acid
    • Inchi: 1S/C7H6O3S/c1-4(8)5-2-3-11-6(5)7(9)10/h2-3H,1H3,(H,9,10)
    • InChI Key: QQVIOEXFJFFVID-UHFFFAOYSA-N
    • SMILES: C1(C=CSC=1C(=O)O)C(=O)C

Computed Properties

  • Exact Mass: 170.00400

Experimental Properties

  • PSA: 82.61000
  • LogP: 1.64890

3-ACETYLTHIOPHENE-2-CARBOXYLIC ACID Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-ACETYLTHIOPHENE-2-CARBOXYLIC ACID Pricemore >>

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Additional information on 3-ACETYLTHIOPHENE-2-CARBOXYLIC ACID

3-Acetylthiophene-2-carboxylic acid (CAS No. 13657-90-4): A Comprehensive Overview

3-Acetylthiophene-2-carboxylic acid, also known by its CAS registry number CAS No. 13657-90-4, is a compound of significant interest in the fields of organic chemistry, pharmacology, and materials science. This compound belongs to the class of thiophenes, which are five-membered heterocyclic aromatic compounds containing one sulfur atom. The presence of an acetyl group at the 3-position and a carboxylic acid group at the 2-position imparts unique chemical properties to this molecule, making it a valuable substrate for various applications.

The structure of 3-Acetylthiophene-2-carboxylic acid consists of a thiophene ring with two substituents: an acetyl group (-COCH?) at the 3-position and a carboxylic acid group (-COOH) at the 2-position. This arrangement creates a molecule with both electron-withdrawing and electron-donating groups, which can influence its reactivity and electronic properties. The thiophene ring itself is aromatic, contributing to the stability and reactivity of the compound.

Recent studies have highlighted the potential of 3-Acetylthiophene-2-carboxylic acid in drug discovery and development. Its unique structure allows for interactions with various biological targets, including enzymes and receptors. For instance, researchers have explored its ability to modulate enzyme activity, making it a promising candidate for therapeutic interventions in diseases such as cancer and neurodegenerative disorders.

In terms of synthesis, 3-Acetylthiophene-2-carboxylic acid can be prepared through several routes, including oxidation of thioethers or via coupling reactions involving thiophene derivatives. The choice of synthetic method depends on the starting materials and desired purity. Recent advancements in catalytic methods have improved the efficiency and selectivity of these reactions, enabling large-scale production for industrial applications.

The physical properties of 3-Acetylthiophene-2-carboxylic acid include a melting point of approximately 180°C and a boiling point around 400°C under standard conditions. Its solubility in common solvents such as water, ethanol, and dichloromethane has been well-documented, facilitating its use in various chemical reactions and analytical techniques.

The application of 3-Acetylthiophene-2-carboxylic acid extends beyond pharmaceuticals. It has been investigated as a precursor for advanced materials, including conductive polymers and organic semiconductors. Its ability to form stable complexes with metal ions makes it a potential candidate for catalytic applications as well.

In conclusion, 3-Acetylthiophene-2-carboxylic acid (CAS No. 13657-90-4) is a versatile compound with a wide range of applications in chemistry and related disciplines. Ongoing research continues to uncover new insights into its properties and potential uses, solidifying its position as an important molecule in modern science.

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