2-Benzothiazolethiol(9CI)

Base Information

• Chemical Name: 2-Benzothiazolethiol(9CI)
• CAS No.: 118090-09-8
• Molecular Formula: C7H5NS2
• Molecular Weight: 167.25100
• Mol file: 118090-09-8.mol

Synonyms:

Chemical Property of 2-Benzothiazolethiol(9CI)

Chemical Property:

• Boiling Point: 281.3±23.0 °C(Predicted)
• PKA: 6.51±0.10(Predicted)
• PSA: 79.93000
• Density: 1.407±0.06 g/cm3(Predicted)
• LogP: 2.58500

Purity/Quality:

98%min ^*data from raw suppliers

Benzo[d]thiazole-2-thiol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Benzothiazolethiol(9CI)

There total 135 articles about 2-Benzothiazolethiol(9CI) 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: 94.0%

carbon disulfide (75-15-0,12122-00-8) + 2-Aminophenyl disulfide (1141-88-4) → sulfur (10544-50-0) + 2-Mercaptobenzothiazole (149-30-4,118090-09-8)

Guidance literature:

With sodium hydrogensulfide; In water; at 80 ℃; for 10h; Reagent/catalyst; Solvent; Temperature; Catalytic behavior; Autoclave; Green chemistry;

DOI:10.1039/c6gc03053j

Reference yield: 93.0%

methyl phosphite (96-36-6,868-85-9) + N-piperidin-2-benzothiazole sulfenamide (26773-65-9) → 2-methylmercaptobenzothiazole (615-22-5) + Dimethyl piperididophosphate (597-24-0) + 2-Mercaptobenzothiazole (149-30-4,118090-09-8)

Guidance literature:

DOI:10.1246/cl.1980.695

Reference yield: 91.0%

4-(benzothiazole-2-sulfenyl)-morpholine (102-77-2) + phosphorous acid trimethyl ester (121-45-9) → 2-methylmercaptobenzothiazole (615-22-5) + N,N-oxydiethylene-O,O-dimethylphosphoramidate (597-25-1) + 2-Mercaptobenzothiazole (149-30-4,118090-09-8)

Guidance literature:

DOI:10.1246/cl.1980.695

upstream raw materials:

1H-imidazole

methyl benzothiazol-2-yl trithiocarbonate

carbon disulfide

o-azidoaniline

Downstream raw materials:

(4-benzothiazol-2-ylsulfanyl-6-chloro-[1,3,5]triazin-2-yl)-(2-chloro-phenyl)-amine

(+/-)-1-(1,3-benzothiazol-2-ylsulfanyl)propan-2-ol

2-(2-Benzothiazolylthio)-3-chloro-1,4-naphthochinon

(R)-2-[(2R)-2r-benzothiazol-2-yldisulfanyl-4-oxo-3c-(2-phenyl-acetylamino)-azetidin-1-yl]-3-methyl-but-3-enoic acid 2,2,2-trichloro-ethyl ester

Refernces

• 1、 Gong, Zipeng,Peng, Yaping,Qiu, Jie,Cao, Anbai,Wang, Guangcheng,Peng, Zhiyun. "Synthesis, in vitro α-glucosidase inhibitory activity and molecular docking studies of novel benzothiazole-triazole derivatives". . . Retrieved 2017.
• 2、 Giansanti, Luisa,Aleandri, Simone,Altieri, Barbara,Caretti, Fulvia,Mancini, Giovanna,Morosetti, Stefano,Ventura, Salvatore,Pérez-Fernández, Virginia,Gentili, Alessandra. "Liquid chromatography/mass spectrometry identification of intermediates and vulcanization products by using squalene as vulcanization model compound". . p. 1339 - 1348. Retrieved 2016.
• 3、 Zhang, Tianmiao,Qin, Weijing,Zhu, Ning,Han, Limin,Wang, Liubo,Hong, Hailong. "Metal sulfide: An efficient promoter for the synthesis of 2-mercaptobenzothiazoles from 2-haloanilines and carbon disulfide". . p. 1916 - 1925. Retrieved 2017.
• 4、 Liu, Lei,Zhu, Ning,Gao, Min,Zhao, Xiaole,Han, Limin,Hong, Hailong. "An efficient copper-catalyzed synthesis of 2-mercaptobenzothiazole through S-arylation/heterocyclization of 2-haloaniline with potassium xanthate". . p. 699 - 701. Retrieved 2016.
• 5、 Ueno, Yoshio,Yadav, L. D. S.,Okawara, Makoto. "CARBON-CARBON BOND FORMATION VIA PHOSPHINE-INITIATED CLEAVAGE OF β-OXOSULFIDES". . p. 831 - 834. Retrieved 1983.
• 6、 Gao, Min,Lou, Chunqing,Zhu, Ning,Qin, Weijing,Suo, Quanling,Han, Limin,Hong, Hailong. "Efficient, Iron-Catalyzed Synthesis of 2-Mercaptobenzothiazole Through S-Arylation/Heterocyclization of 2-Haloaniline with Potassium Xanthate". . p. 2378 - 2385. Retrieved 2015.
• 7、 Zhao, Zengbing,Chen, Bo,Cheng, Lanxing,Zhao, Yili,Chai, Yongli,Yang, Shucheng. "Purification of high-purity 2-mercaptobenzothiazole by two-steps". . p. 851 - 859. Retrieved 2021/05/19.
• 8、 Kayathi, Narendra Babu,Panga, Siva Sankar,Adivireddy, Padmaja,Venkatapuram, Padmavathi. "A green approach for the synthesis of benzazolyl pyrimidinyl carbamothioates under ultrasonication and their antimicrobial activity". . p. 2931 - 2943. Retrieved 2021/07/26.