17431-98-0

Basic information

• Product Name: 2-[(4-METHYLPHENYL)THIO]PROPANOIC ACID
• Synonyms: 2-[(4-methylphenyl)thio]propanoic acid(SALTDATA: FREE)
• CAS NO: 17431-98-0
• Molecular Formula: C₁₀H₁₂O₂S
• Molecular Weight: 196.27
• Mol File: 17431-98-0.mol
• Article Data: 4

Chemical Properties

• Melting Point: 77.5-78.5 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 328.1°Cat760mmHg
• Flash Point: 152.2°C
• Appearance: /
• Density: 1.19g/cm³
• Vapor Pressure: 7.84E-05mmHg at 25°C
• PKA: 3.76±0.10(Predicted)
• CAS DataBase Reference: 2-[(4-METHYLPHENYL)THIO]PROPANOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[(4-METHYLPHENYL)THIO]PROPANOIC ACID(17431-98-0)
• EPA Substance Registry System: 2-[(4-METHYLPHENYL)THIO]PROPANOIC ACID(17431-98-0)

Safety Data

• Hazardous Substances Data: 17431-98-0(Hazardous Substances Data)

Usage

General Description

2-[(4-Methylphenyl)thio]propanoic acid is a chemical compound with the molecular formula C10H12O2S. It is commonly used as a non-steroidal anti-inflammatory drug (NSAID) with analgesic and anti-inflammatory properties. The compound works by inhibiting the production of inflammatory chemicals in the body, thus reducing pain and inflammation. It is commonly used to treat conditions such as arthritis, menstrual pain, and mild to moderate pain. Additionally, the compound has been studied for its potential anti-cancer properties, as it has shown to have cytotoxic effects on cancer cells. Despite its therapeutic benefits, the compound may also have side effects such as gastrointestinal discomfort and cardiovascular risks. Overall, 2-[(4-Methylphenyl)thio]propanoic acid is a valuable compound with a variety of medical applications.

InChI:InChI=1/C10H12O2S/c1-7-3-5-9(6-4-7)13-8(2)10(11)12/h3-6,8H,1-2H3,(H,11,12)/p-1/t8-/m1/s1

Upstream product

• 2943-42-2 di(4-methyl)phenylthiosulfonate 
• 598-72-1 2-Bromopropionic acid 
• 106-45-6 para-thiocresol 

Downstream Products

• 135616-47-6 α-((4-Methylphenyl)thio)propanoyl chloride 
• 1187669-93-7 PhCO₂CH(1-Np)2 
• 1312997-38-8 C₃₁H₂₆O₂S 
• 1610801-88-1 C₂₁H₃₀N₂O₆S₂ 

Relevant articles and documents

Enantioselective Synthesis of α-Thiocarboxylic Acids by Nitrilase Biocatalysed Dynamic Kinetic Resolution of α-Thionitriles

The enantioselective synthesis of α-thiocarboxylic acids by biocatalytic dynamic kinetic resolution (DKR) of nitrile precursors exploiting nitrilase enzymes is described. A panel of 35 nitrilase biocatalysts were screened and enzymes Nit27 and Nit34 were found to catalyse the DKR of racemic α-thionitriles under mild conditions, affording the corresponding carboxylic acids with high conversions and good-to-excellent ee. The ammonia produced in situ during the biocatalytic transformation favours the racemization of the nitrile enantiomers and, in turn, the DKR without the need of any external additive base.

Kinetic resolution of α-substituted alkanoic acids promoted by homobenzotetramisole

A new method for catalytic nonenzymatic kinetic resolution of α-substituted alkanoic acids has been developed, which relies on their activation with DCC followed by enantioselective alcoholysis of the intermediate symm-anhydrides in the presence of the amidine-based catalyst homobenzotetramisole (HBTM). Moderate to excellent selectivity factors (s=5-96) have been obtained in the case of several classes of substrates, namely, α-aryl-, α-aryloxy/alkoxy-, α-halo-, α-azido-, and α-phthalimido-alkanoic acids. Under similar conditions, α-(arylthio/alkylthio)-alkanoic acids undergo dynamic kinetic resolution providing corresponding esters in up to 92 % ee and up to 93 % yield. Copyright