1918-79-2 | 5-Methyl-2-thiophenecarboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
5g	98%	in stock	$12.00	$8.00
10g	98%	in stock	$13.00	$10.00
25g	98%	in stock	$24.00	$17.00
100g	98%	in stock	$70.00	$49.00

Description

• Catalog Number: AB13171
• Chemical Name: 5-Methyl-2-thiophenecarboxylic acid
• CAS Number: 1918-79-2
• Molecular Formula: C6H6O2S
• Molecular Weight: 142.17564
• MDL Number: MFCD00005439
• SMILES: Cc1ccc(s1)C(=O)O
• NSC Number: 89698

Computed Properties

• Complexity: 124
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 1.9

Upstream Synthesis Route

5-Methylthiophene-2-carboxylic acid, often referred to simply as 5-MTCA, serves as a versatile building block in organic chemistry due to its unique structure and functional groups. This compound plays a crucial role in chemical synthesis, particularly in the pharmaceutical and agrochemical industries.5-Methylthiophene-2-carboxylic acid is commonly employed as a key starting material for the synthesis of various biologically active compounds, such as pharmaceutical drugs and crop protection agents. Its thiophene ring structure, along with the carboxylic acid functional group, allows for the easy introduction of additional chemical moieties through diverse synthetic transformations.In medicinal chemistry, 5-MTCA can be utilized for the preparation of potential drug candidates with therapeutic properties, including anti-inflammatory, antibacterial, and antifungal activities. By modifying the 5-MTCA structure through chemical derivatization, researchers can tailor the properties of the resulting molecules to improve their efficacy and reduce potential side effects.Furthermore, 5-Methylthiophene-2-carboxylic acid finds application in the development of novel agrochemicals, such as pesticides and herbicides. Through strategic chemical modifications, 5-MTCA derivatives can be designed to target specific biological pathways in pests or weeds, providing effective solutions for crop protection and agricultural sustainability.Overall, the versatility and utility of 5-Methylthiophene-2-carboxylic acid in chemical synthesis make it a valuable intermediate for the generation of diverse compounds with important biological activities and industrial applications.

Literature

• catena-Poly[[trimethyl-tin(IV)]-μ-5-methyl-thio-phene-2-carboxyl-ato-κO:O'].

  Acta crystallographica. Section E, Structure reports online 20111201

• Prediction of genotoxicity of chemical compounds by statistical learning methods.

  Chemical research in toxicology 20050601