2-Acetylbenzothiazole

Base Information

• Chemical Name: 2-Acetylbenzothiazole
• CAS No.: 1629-78-3
• Molecular Formula: C9H7 N O S
• Molecular Weight: 177.227
• Hs Code.: 2934999090
• Mol file: 1629-78-3.mol

Synonyms:Ketone,2-benzothiazolyl methyl (7CI,8CI); 1-(1,3-Benzothiazol-2-yl)ethanone;2-Acetylbenzothiazole; 2-Benzothiazolyl methyl ketone

Chemical Property of 2-Acetylbenzothiazole

Chemical Property:

• Appearance/Colour: off-white to yellow crystalline solid
• Vapor Pressure: 0.00103mmHg at 25°C
• Melting Point: 109 °C
• Boiling Point: 301.9 °C at 760 mmHg
• PKA: -1.49±0.10(Predicted)
• Flash Point: 136.4 °C
• PSA: 58.20000
• Density: 1.286 g/cm³
• LogP: 2.49890
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

1-(1,3-Benzothiazol-2-yl)ethan-1-one ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Acetylbenzothiazole

There total 32 articles about 2-Acetylbenzothiazole 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: 89.1%

1-benzimidazol-2-ylethanol (16414-04-3,19018-24-7) → 2-acetylbenzothiazole (1629-78-3)

Guidance literature:

With potassium permanganate; sulfuric acid; In acetone; at 35 - 40 ℃; for 1.5h;

Reference yield: 85.0%

2-(1-hydroxyethyl)-1,3-benzothiazole (17147-80-7) → 2-acetylbenzothiazole (1629-78-3)

Guidance literature:

With chromium(VI) oxide; acetic acid; at 120 ℃; for 3h;

Reference yield: 83.0%

1,3-Benzothiazole (95-16-9) + phosphonic acid diethyl ester (762-04-9) → 2-acetylbenzothiazole (1629-78-3)

Guidance literature:

With tert.-butylhydroperoxide; In acetonitrile; at 80 ℃; for 24h; Reagent/catalyst;

DOI:10.1021/jo501791n

upstream raw materials:

2-ethylbenzothiazole

2-(1-hydroxyethyl)-1,3-benzothiazole

2-phenylazo-benzenesulfenyl chloride

acetone

Downstream raw materials:

1-(benzo[d]thiazol-2-yl)-2-bromoethanone

1-(6-nitrobenzo[d]thiazol-2-yl)ethanone

Trifluoro-methanesulfonate2-benzothiazol-2-yl-4-phenyl-5,6-dihydro-benzo[h]chromenylium;

1,5-Bis-benzothiazol-2-yl-3-(4-nitro-phenyl)-pentane-1,5-dione

Refernces

• 1、 Duan, Xiu,Guo, Kai,Liu, Jie,Ma, Can-Liang,Qin, Long-Zhou,Qiu, Jiang-Kai,Sun, Qi,Wu, Meng-Yu,Yuan, Xin,Zhang, Xin-Peng,Zhu, Shan-Shan. "Photoinduced remote heteroaryl migration accompanied by cyanoalkylacylation in continuous flow". supporting information. p. 8916 - 8921. Retrieved 2021/11/27.
• 2、 Gestwicki, Jason E.,Shao, Hao. "Neutral analogs of the heat shock protein 70 (Hsp70) inhibitor, JG-98". . . Retrieved 2020/01/22.