3-Phenylisothiazole

Base Information

• Chemical Name: 3-Phenylisothiazole
• CAS No.: 10514-34-8
• Molecular Formula: C9H7NS
• Molecular Weight: 161.227
• Hs Code.: 2934999090
• Mol file: 10514-34-8.mol

Synonyms:3-phenyl-isothiazole;Isothiazole,3-phenyl;3-Phenyl-isothiazol;

Chemical Property of 3-Phenylisothiazole

Chemical Property:

• PSA: 41.13000
• LogP: 2.81010

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Phenylisothiazole

There total 22 articles about 3-Phenylisothiazole 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: 81.2%

Phenylpropargyl aldehyde (2579-22-8) → 3-phenylisothiazole (10514-34-8)

Guidance literature:

With ammonium iodide; water; potassium ethyl xanthogenate; In N,N-dimethyl-formamide; at 130 ℃; for 12h; regioselective reaction; Schlenk technique;

DOI:10.1002/adsc.202001179

Reference yield: 72.0%

2-methyl-3-phenylisothiazolium perchlorate → 3-phenylisothiazole (10514-34-8)

Guidance literature:

With ammonia; In ethanol; for 0.5h;

DOI:10.1016/S0040-4020(01)96551-2

Reference yield: 64.0%

2,3-diphenylisothiazolium perchlorate → 3-phenylisothiazole (10514-34-8)

Guidance literature:

With ammonia; In ethanol;

DOI:10.1016/S0040-4020(01)96551-2

upstream raw materials:

5-amino-3-phenylisothiazole

2-phenylthiazole

4-bromo-3-phenyl-isothiazole

1-phenyl-3-thiocyanato-propenone

Downstream raw materials:

3-(2,4-dichloro-phenyl)-5-methyl-isothiazole-4-carboxylic acid

3-(2,4-dichloro-phenyl)-5-methyl-isothiazole-4-carbonitrile

3-(4-chloro-phenyl)-5-methyl-isothiazole-4-carboxylic acid

3-(4-chloro-phenyl)-5-methyl-isothiazole-4-carbonitrile

Refernces

• 1、 -. "3, 5-disubstituted isothiazole compound and synthesis method and application thereof". Paragraph 0157-0162. . Retrieved 2021/03/30.
• 2、 Pavlik, James W.,Tongcharoensirikul, Pakamas. "Photochemistry of 3- and 5-phenylisothiazoles. Competing phototransposition pathways". . p. 3626 - 3631. Retrieved 2007/10/03.