3-(2-BENZOTHIAZOLYLTHIO)PROPIONIC ACID

Base Information

• Chemical Name: 3-(2-BENZOTHIAZOLYLTHIO)PROPIONIC ACID
• CAS No.: 4767-00-4
• Molecular Formula: C10H9NO2S2
• Molecular Weight: 239.314
• Hs Code.: 2934200090
• Mol file: 4767-00-4.mol

Synonyms:3-(2-BENZOTHIAZOLYLTHIO)-PROPIONIC ACID;3-(1,3-benzothiazol-2-ylsulfanyl)propanoic acid;

Chemical Property of 3-(2-BENZOTHIAZOLYLTHIO)PROPIONIC ACID

Chemical Property:

• Vapor Pressure: 1.28E-08mmHg at 25°C
• Melting Point: 149oC
• Boiling Point: 442.7°Cat760mmHg
• PKA: 4.17±0.10(Predicted)
• Flash Point: 221.6°C
• PSA: 103.73000
• Density: 1.45g/cm³
• LogP: 2.86310
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Insoluble in water

Purity/Quality:

99.5% ^*data from raw suppliers

3-(2-Benzothiazolylthio)propionic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(2-BENZOTHIAZOLYLTHIO)PROPIONIC ACID

There total 15 articles about 3-(2-BENZOTHIAZOLYLTHIO)PROPIONIC ACID which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

3-Bromopropionic acid (590-92-1) + 2-Mercaptobenzothiazole (149-30-4,118090-09-8) → 3-(benzothiazol-2-ylthio)propionic acid (4767-00-4)

Guidance literature:

2-Mercaptobenzothiazole; With potassium carbonate; In tetrahydrofuran; for 0.166667h; Inert atmosphere;

3-Bromopropionic acid; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.saa.2020.119072

Reference yield: 95.0%

3-(2-Benzothiazolylthio)propionitrile (25176-72-1) → 3-(benzothiazol-2-ylthio)propionic acid (4767-00-4)

Guidance literature:

With hydrogenchloride; derivatives with CN and CONH₂ gived a same product;

DOI:10.1007/BF00542791

Reference yield: 82.0%

β-Propiolactone (57-57-8) + sodium 2-mercaptobenzothiazole (2492-26-4) → 3-(benzothiazol-2-ylthio)propionic acid (4767-00-4)

Guidance literature:

In water; at 20 ℃; for 3h;

upstream raw materials:

chloropropionic acid

2-thioxo-3H-1,3-benzothiazole

β-Propiolactone

2-(3,3-dichloro-allylsulfanyl)-benzothiazole

Downstream raw materials:

3-(Benzothiazol-2-ylsulfanyl)-N-phenyl-propionamide

Refernces

• 1、 Rozhova,Zav'yalova. "-". . . Retrieved 1973.
• 2、 Kouge, Katsushige,Koizumi, Tatsuya,Ishibashi, Norio,Okai, Hideo. "New Taste-blind Substances. Studies on the Sensory Divergence of Bitterness to the Taste-blindness of 2-Mercaptoimidazoline, 2-Mercaptobenzothiazole and Their Derivatives, with Special Reference to Their Molecular Structure". . p. 1941 - 1946. Retrieved 2007/10/02.
• 3、 Anan'eva, K. V.,Rozhkova, N. K.. "BENZAZOLIN-2-THIONES IN THE MICHAEL REACTION. 2. REACTION OF BENZOTHIAZOLIN- AND BENZOXAZOLIN-2-THIONES WITH ACRYLONITRILE, ACRYLAMIDE, AND METHYL ACRYLATE IN THE PRESENCE OF BASIC CATALYSTS". . p. 564 - 567. Retrieved 2007/10/02.