883-50-1

Basic information

• Product Name: 3-(2-OXO-BENZOTHIAZOL-3-YL)-PROPIONIC ACID
• Synonyms: 3-(2-OXO-BENZOTHIAZOL-3-YL)-PROPIONIC ACID;3-(2-OXO-1,3-BENZOTHIAZOL-3(2H)-YL)PROPANOIC ACID;3(2H)-benzothiazolepropanoic acid, 2-oxo-;3-(2-keto-1,3-benzothiazol-3-yl)propionic acid;3-(2-oxo-1,3-benzothiazol-3-yl)propanoic acid;3-(2-oxobenzo[d]thiazol-3(2H)-yl)propanoic acid
• CAS NO: 883-50-1
• Molecular Formula: C10H9NO3S
• Molecular Weight: 223.25
• Mol File: 883-50-1.mol
• Article Data: 2

Chemical Properties

• Melting Point: 102-104 C
• Boiling Point: 452.9°C at 760 mmHg
• Flash Point: 227.7°C
• Appearance: /
• Density: 1.447g/cm³
• Vapor Pressure: 5.43E-09mmHg at 25°C
• Refractive Index: 1.654
• PKA: 4.30±0.10(Predicted)
• CAS DataBase Reference: 3-(2-OXO-BENZOTHIAZOL-3-YL)-PROPIONIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(2-OXO-BENZOTHIAZOL-3-YL)-PROPIONIC ACID(883-50-1)
• EPA Substance Registry System: 3-(2-OXO-BENZOTHIAZOL-3-YL)-PROPIONIC ACID(883-50-1)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• HazardClass: IRRITANT
• Hazardous Substances Data: 883-50-1(Hazardous Substances Data)

Usage

Uses

3-(2-Oxo-1,3-benzothiazol-3(2h)-yl)propanoic acid is a reactant in the preparation of heterocycle derivatives as histone deacetylase inhibitors.

InChI:InChI=1/C10H9NO3S/c12-9(13)5-6-11-7-3-1-2-4-8(7)15-10(11)14/h1-4H,5-6H2,(H,12,13)

Upstream product

• 881-13-0 β-(N-benzothiazoline-2-one)propionitrile 
• 107-94-8 chloropropionic acid 
• 934-34-9 2(3H)-Benzothiazolone 
• 100192-76-5 3-(2-oxo-benzothiazol-3-yl)-propionic acid ethyl ester 

Downstream Products

• 1210-63-5 3-<2-Oxo-benzothiazol-3-yl>-propionsaeure-methylester 

Relevant articles and documents

Crystal and Molecular Structure of β-(N-Benzothiazoline-2-One)Propionic Acid and Its Ethylenediammonium Salt

The crystal and molecular structure of β-(N-benzothiazoline-2-one)propionic acid and its ethylenediammonium salt is studied. In the latter structure, amine groups of ethylenediamine are involved in the deprotonation of two molecules of β-(N-benzothiazoline-2-one)propionic acid. The geometry of the molecules and weak intermolecular hydrogen and dative bonds in the crystals are analyzed. The asymmetric unit of the unit cell in both structures contains two molecules of β-(N-benzothiazoline-2-one)propionic acid.