6-Methylbenzothiazole

Base Information

• Chemical Name: 6-Methylbenzothiazole
• CAS No.: 2942-15-6
• Molecular Formula: C8H7NS
• Molecular Weight: 149.216
• Hs Code.: 2934999090
• European Community (EC) Number: 818-915-6
• DSSTox Substance ID: DTXSID40395841
• Nikkaji Number: J3.567.158G
• Wikidata: Q82196164
• Mol file: 2942-15-6.mol

Synonyms:6-methylbenzothiazole;2942-15-6;6-METHYLBENZO[D]THIAZOLE;6-methyl-1,3-benzothiazole;6-methyl-benzothiazole;Benzothiazole, 6-methyl-;SCHEMBL266440;DTXSID40395841;IVKILQAPNDCUNJ-UHFFFAOYSA-N;CAA94215;MFCD01325556;AKOS006276177;AB09070;CS-0308786;FT-0693081;J3.567.158G;EN300-132365;W17075;A819908;Z1198156828;InChI=1/C8H7NS/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H

Chemical Property of 6-Methylbenzothiazole

Chemical Property:

• PSA: 41.13000
• LogP: 2.60470
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 149.02992040
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

98%min ^*data from raw suppliers

6-methylbenzothiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)N=CS2

Technology Process of 6-Methylbenzothiazole

There total 14 articles about 6-Methylbenzothiazole 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: 96.0%

→ 6-methylbenzothiazole (2942-15-6)

Guidance literature:

With water; caesium carbonate; for 0.166667h; Microwave irradiation;

Reference yield: 95.0%

2-iodo-4-methylaniline (29289-13-2) + dimethyl sulfoxide (67-68-5,8070-53-9) → 6-methylbenzothiazole (2942-15-6)

Guidance literature:

With copper(l) iodide; potassium sulfide; ammonium acetate; water; at 140 ℃; for 10h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.0c00994

Reference yield: 95.0%

6-methylbenzothiazol-2-ylamine (2536-91-6) → 6-methylbenzothiazole (2942-15-6)

Guidance literature:

With tetrahydrofuran; oxygen; nitrogen(II) oxide; for 2h; Ambient temperature;

DOI:10.1248/cpb.45.1547

upstream raw materials:

6-methyl-1,3-benzothiazole-2(3H)-thione

Dimethyl-p-toluidine

formic acid

2-amino-5-methylthiophenol

Downstream raw materials:

2-[(2-amino-5-methylphenyl)dithio]-4-methylphenylamine

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

6-methyl-2-benzothiazolyltriphenylsilane

5-(4-methoxyphenyl)-2-(6-methylbenzothiazol-2-yl)oxazole

Refernces

• 1、 Wu, Yue,Guo, Peng,Chen, Long,Duan, Weijie,Yang, Zengzhuan,Wang, Tao,Chen, Ting,Xiong, Fei. "Iron-catalyzed tandem oxidative coupling and acetal hydrolysis reaction to prepare formylated benzothiazoles and isoquinolines". supporting information. p. 3271 - 3274. Retrieved 2021/04/07.
• 2、 -. "Synthetic method of ammonium acetate-mediated benzothiazole compound". Paragraph 0036-0038. . Retrieved 2020/11/23.