3685-48-1

Basic information

• Product Name: 3-THIOPHENEPROPIONIC ACID
• Synonyms: SPECS AI-942/25121111;3-THIOPHENEPROPIONIC ACID;DL-3-THIENYLALANINE;DL-?-(3-Thienyl)alanine 3-Thiophenepropionic acid;3-(3-thienyl)-DL-alanine;DL-B-(3-Thienyl)-ALPHA-alanine;2-amino-3-thiophen-3-ylpropanoic acid;2-azanyl-3-thiophen-3-yl-propanoic acid
• CAS NO: 3685-48-1
• Molecular Formula: C₇H₉NO₂S
• Molecular Weight: 171.22
• EINECS: 222-974-8
• Product Categories: Aromatic Propionic Acids
• Mol File: 3685-48-1.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 320.3 °C at 760 mmHg
• Flash Point: 147.5 °C
• Appearance: /
• Density: 1.349g/cm³
• Vapor Pressure: 0.000133mmHg at 25°C
• Refractive Index: 1.607
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 3-THIOPHENEPROPIONIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-THIOPHENEPROPIONIC ACID(3685-48-1)
• EPA Substance Registry System: 3-THIOPHENEPROPIONIC ACID(3685-48-1)

Safety Data

• Hazardous Substances Data: 3685-48-1(Hazardous Substances Data)

Usage

General Description

3-Thiophenepropionic acid is a chemical compound with the molecular formula C7H8O2S. It is a carboxylic acid derivative containing both a thiophene ring and a propionic acid moiety. 3-THIOPHENEPROPIONIC ACID is commonly used as a building block in the synthesis of various pharmaceuticals, agrochemicals, and other organic compounds. 3-Thiophenepropionic acid has been found to exhibit anti-inflammatory and antioxidant properties, making it of interest for potential therapeutic applications. Additionally, it can also be used as an intermediate for the production of fragrances, dyes, and other specialty chemicals.

InChI:InChI=1/C7H9NO2S/c8-6(7(9)10)3-5-1-2-11-4-5/h1-2,4,6H,3,8H2,(H,9,10)/t6-/m0/s1

Upstream product

• 34846-44-1 3-Bromomethylthiophene 
• 53255-74-6 3-(thiophen-3-yl)-2-thioxopropanoic acid 
• 71637-34-8 3-hydroxymethyl-thiophene 
• 2746-23-8 3-(chloromethyl)thiophene 
• 498-62-4 3-thiophene carboxaldehyde 
• 811860-66-9 (rac)-2-formylamino-3-thiophen-3-yl-propionic acid 
• 811860-61-4 2-(hydroxyimino)-3-(thiophen-3-yl)propanoic acid 
• 380301-92-8 acetylamino-[3]thienylmethyl-malonic acid diethyl ester 

Downstream Products

• 22574-47-6 D-2-amino-3-thiophen-3-yl-propionic acid 
• 1195-52-4 trans-3-(3-thienyl)acrylic acid 
• 220497-90-5 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiophen-3-yl-propionic acid 

Relevant articles and documents

The interaction of heteroaryl-acrylates and alanines with phenylalanine ammonia-lyase from parsley

Acrylic acids and alanines substituted with heteroaryl groups at the β-position were synthesized and spectroscopically characterized (UV, HRMS, 1H NMR, and 13C NMR spectroscopy). The heteroaryl groups were furanyl, thiophenyl, benzofuranyl, and benzothiophenyl and contained the alanyl side chains either at the 2- or 3-positions. While the former are good substrates for phenylalanine ammonia lyase (PAL), the latter compounds are inhibitors. Exceptions are thiophen-3-yl-alanine, a moderate substrate and furan-3-yl-alanine, which is inert. Possible reasons for these exceptions are discussed. Starting from racemic het eroaryl-2-alanines their D-enantiomers were prepared by using a stereodestructive procedure. From the heteroaryl-2- acrylates, the L-enantiomers of the heteroaryl-2-alanines were prepared at high ammonia concentration. These results can be best explained by a Friedel - Crafts-type electrophilic attack at the aromatic part of the substrates as the initial step of the PAL reaction.

Inhibitors of interleukin-1β converting enzyme

The present invention relates to novel classes of compounds which are inhibitors of interleukin-1β converting enzyme. The ICE inhibitors of this invention are characterized by specific structural and physicochemical features. This invention also relates to pharmaceutical compositions comprising these compounds. The compounds and pharmaceutical compositions of this invention are particularly well suited for inhibiting ICE activity and consequently, may be advantageously used as agents against interleukin-1 mediated diseases, including inflammatory diseases, autoimmune diseases and neurodegenerative diseases. This invention also relates to methods for inhibiting ICE activity and methods for treating interleukin-1 mediated diseases using the compounds and compositions of this invention.