Benzothiazole, 2-dimethylamino-

Base Information

• Chemical Name: Benzothiazole, 2-dimethylamino-
• CAS No.: 4074-74-2
• Molecular Formula: C9H10 N2 S
• Molecular Weight: 178.25
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40193728
• Nikkaji Number: J41.956G
• Wikidata: Q83066457
• Mol file: 4074-74-2.mol

Synonyms:4074-74-2;N,N-Dimethyl-2-Benzothiazolamine;N,N-dimethyl-1,3-benzothiazol-2-amine;2-Dimethylaminobenzothiazole;BENZOTHIAZOLE, 2-DIMETHYLAMINO-;2-Benzothiazolamine, N,N-dimethyl-;BRN 0124089;N,N-dimethylbenzo[d]thiazol-2-amine;2-Benzothiazolamine,N,N-dimethyl-(9CI);2-(Dimethylamino)benzothiazole;SCHEMBL3887904;DTXSID40193728;Benzothiazole, 2-(dimethylamino)-;MFCD00613409;AKOS030227973;AS-60798;LS-40737;CS-0159999;AE-848/01275057

Chemical Property of Benzothiazole, 2-dimethylamino-

Chemical Property:

• Vapor Pressure: 0.00896mmHg at 25°C
• Melting Point: 87 °C
• Boiling Point: 265.8°C at 760 mmHg
• PKA: 4.17±0.10(Predicted)
• Flash Point: 114.6°C
• PSA: 44.37000
• Density: 1.235g/cm³
• LogP: 2.36230
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 178.05646950
• Heavy Atom Count: 12
• Complexity: 161

Purity/Quality:

99%min ^*data from raw suppliers

N,N-DIMETHYL-2-BENZOTHIAZOLAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1=NC2=CC=CC=C2S1

Technology Process of Benzothiazole, 2-dimethylamino-

There total 3 articles about Benzothiazole, 2-dimethylamino- 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%

2-chlorobenzo[d][1,3]thiazole (615-20-3) + N,N-dimethyl-ethanamine (598-56-1) → 2-dimethylaminobenzothiazole (4074-74-2) + Benzothiazol-2-yl-ethyl-methyl-amine (108656-84-4)

Guidance literature:

In tetrahydrofuran; at 100 ℃; for 96h; under 6000480 Torr;

DOI:10.1246/cl.1991.1283

Reference yield: 4.0%

2-chlorobenzo[d][1,3]thiazole (615-20-3) + N,N-dimethyl-cyclohexanamine (98-94-2) → 2-dimethylaminobenzothiazole (4074-74-2) + Benzothiazol-2-yl-cyclohexyl-methyl-amine (136540-12-0)

Guidance literature:

In tetrahydrofuran; at 100 ℃; for 96h; under 6000480 Torr;

DOI:10.1246/cl.1991.1283

Reference yield: 2.0%

N,N'-dimethylbenzylamine (103-83-3) + 2-chlorobenzo[d][1,3]thiazole (615-20-3) → 2-dimethylaminobenzothiazole (4074-74-2) + N-benzyl-N-methylbenzo[d]thiazol-2-amine

Guidance literature:

In tetrahydrofuran; at 100 ℃; for 96h; under 6000480 Torr;

DOI:10.1246/cl.1991.1283

upstream raw materials:

N,N'-dimethylbenzylamine

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

N,N-dimethyl-ethanamine

N,N-dimethyl-cyclohexanamine

Refernces