4767-00-4

Basic information

• Product Name: 3-(2-BENZOTHIAZOLYLTHIO)PROPIONIC ACID
• Synonyms: benzothiazolylthiopropionicacid;3-(2-BENZOTHIAZOLYLTHIO)PROPIONIC ACID;3-(1,3-BENZOTHIAZOL-2-YLTHIO)PROPANOIC ACID;3-(2-BENZOTHIAZOLYLTHIO)PROPIONIC ACID 98+%;3-(Benzothiazol-2-ylthio)propionic acid;3-(1,3-benzothiazol-2-ylthio)propionic acid;3-(Benzo[d]thiazol-2-ylthio)propanoic acid
• CAS NO: 4767-00-4
• Molecular Formula: C₁₀H₉NO₂S₂
• Molecular Weight: 239.31
• Mol File: 4767-00-4.mol
• Article Data: 5

Chemical Properties

• Melting Point: 149 °C
• Boiling Point: 442.7°Cat760mmHg
• Flash Point: 221.6°C
• Appearance: /
• Density: 1.45g/cm³
• Vapor Pressure: 1.28E-08mmHg at 25°C
• Refractive Index: 1.7
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 4.17±0.10(Predicted)
• Water Solubility: Insoluble in water
• CAS DataBase Reference: 3-(2-BENZOTHIAZOLYLTHIO)PROPIONIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(2-BENZOTHIAZOLYLTHIO)PROPIONIC ACID(4767-00-4)
• EPA Substance Registry System: 3-(2-BENZOTHIAZOLYLTHIO)PROPIONIC ACID(4767-00-4)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• HazardClass: IRRITANT
• Hazardous Substances Data: 4767-00-4(Hazardous Substances Data)

Usage

General Description

3-(2-Benzothiazolylthio)propionic acid is a chemical compound with the formula C11H9NO2S2. It is commonly used in the synthesis of drugs and pharmaceuticals, and as a building block in organic chemistry. 3-(2-BENZOTHIAZOLYLTHIO)PROPIONIC ACID is known for its anti-inflammatory and antioxidant properties, making it a potential candidate for the development of new drugs to treat inflammatory and oxidative stress-related diseases. It can also be used as a fluorescent probe in the study of protein conformation and function. Additionally, 3-(2-Benzothiazolylthio)propionic acid has potential applications in the fields of materials science and biochemistry, making it a versatile and valuable compound in various scientific and industrial applications.

InChI:InChI=1/C10H9NO2S2/c12-9(13)5-6-14-10-11-7-3-1-2-4-8(7)15-10/h1-4H,5-6H2,(H,12,13)

Upstream product

• 107-94-8 chloropropionic acid 
• 149-30-4 2-thioxo-3H-1,3-benzothiazole 
• 57-57-8 β-Propiolactone 
• 107-13-1 acrylonitrile 
• 79-06-1 2-propenamide 
• 292638-85-8 acrylic acid methyl ester 
• 79-10-7 acrylic acid 
• 590-92-1 3-Bromopropionic acid 
• 149-30-4 2-Mercaptobenzothiazole 
• 25176-72-1 3-(2-Benzothiazolylthio)propionitrile 
• 2492-26-4 sodium 2-mercaptobenzothiazole 
• 23288-79-1 2-(3,3-dichloro-allylsulfanyl)-benzothiazole 

Downstream Products

• 80357-80-8 3-(Benzothiazol-2-ylsulfanyl)-N-phenyl-propionamide 

Relevant articles and documents

A modular template for the design of thiol-triggered sensors and prodrugs

A unique reaction between thiols (RSH) and alkyl sulfonylbenzothiazole was discovered. This reaction was specific for thiols and produced a sulfinic acid (RSO2H) as the intermediate, which further triggered an intramolecular cyclization to release a -OH containing payload. This reaction was used to develop thiol-triggered fluorescent sensors and prodrugs. The modular design of this template provides tunability of the release profiles of the payloads.

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BENZAZOLIN-2-THIONES IN THE MICHAEL REACTION. 1. REACTION OF BENZOTHIAZOLIN- AND BENZOXAZOLIN-2-THIONES WITH ACRYLONITRILE, ACRYLAMIDE, AND METHACRYLATE IN THE PRESENCE OF ACID CATALYST

The reaction of benzothiazolin- and benzoxazolin-2-thiones with acrylonitrile, acrylamide, and methylacrylate under conditions of acid catalysis takes place at the sulfur atom.The formation of minor amounts of N-derivatives is attributed to izomerization of the principal reaction products.

Synthesis and Reactions of 2-Mercaptobenzothiazole Derivatives of Expected Biological Activity. 2

The amides and anilides of benzothiazol-2-ylthioacetic acid and 3-(benzothiazol-2-ylthio)propanoic acid were prepared by the reaction of the corresponding acid chlorides with amines and anilines.Also the arylhydrazones, the cycloalkanone hydrazones, and pyrazoline derivatives were prepared.