Benzothiazol-2-yl-o-tolyl-amine

Base Information

• Chemical Name: Benzothiazol-2-yl-o-tolyl-amine
• CAS No.: 25717-12-8
• Molecular Formula: C14H12 N2 S
• Molecular Weight: 240.329
• DSSTox Substance ID: DTXSID30368241
• Nikkaji Number: J2.821.412J
• Wikidata: Q82154636
• ChEMBL ID: CHEMBL1339780
• Mol file: 25717-12-8.mol

Synonyms:Benzothiazol-2-yl-o-tolyl-amine;25717-12-8;N-(2-methylphenyl)-1,3-benzothiazol-2-amine;N-(o-Tolyl)benzo[d]thiazol-2-amine;MLS000402427;Enamine_001810;SCHEMBL1819335;CHEMBL1339780;DTXSID30368241;HMS1399C06;HMS2532N18;2-(2-Methylphenylamino)benzothiazole;STK681520;AKOS000115457;SMR000263674;CS-0218901;MLS000402427-02;EN300-02418;AB00544197-04;Z56820390

Chemical Property of Benzothiazol-2-yl-o-tolyl-amine

Chemical Property:

• Vapor Pressure: 5.21E-06mmHg at 25°C
• Boiling Point: 381.1°C at 760 mmHg
• Flash Point: 184.3°C
• PSA: 56.39000
• Density: 1.274g/cm³
• LogP: 3.77020
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 240.07211956
• Heavy Atom Count: 17
• Complexity: 259

Purity/Quality:

97% ^*data from raw suppliers

Benzothiazol-2-yl-o-tolyl-amine 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1NC2=NC3=CC=CC=C3S2

Technology Process of Benzothiazol-2-yl-o-tolyl-amine

There total 7 articles about Benzothiazol-2-yl-o-tolyl-amine 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: 92.0%

2-iodophenylamine (615-43-0) + 2-tolyl isothiocyanate (614-69-7) → N-(2-methylphenyl)-1,3-benzothiazol-2-amine (25717-12-8)

Guidance literature:

With tetrabutylammomium bromide; copper(I) bromide; In dimethyl sulfoxide; at 40 ℃; for 20h;

DOI:10.1016/j.tetlet.2009.11.086

Reference yield: 86.0%

2-bromoaniline (615-36-1) + 2-tolyl isothiocyanate (614-69-7) → N-(2-methylphenyl)-1,3-benzothiazol-2-amine (25717-12-8)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In toluene; at 60 ℃; for 8h;

DOI:10.1016/j.tet.2011.05.121

Reference yield: 84.0%

2-chlorobenzo[d][1,3]thiazole (615-20-3) + o-toluidine (95-53-4) → N-(2-methylphenyl)-1,3-benzothiazol-2-amine (25717-12-8)

Guidance literature:

at 100 ℃; for 12h; Inert atmosphere; Schlenk technique; Sealed tube; Green chemistry;

DOI:10.1021/acs.joc.1c01019

upstream raw materials:

2-chlorobenzo[d][1,3]thiazole

o-toluidine

2-amino-phenol

2-tolyl isothiocyanate

Downstream raw materials:

2-o-tolylimino-3-methylbenzothiazoline

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