Benzothiazol-2-yl-(2,6-dimethyl-phenyl)-amine

Base Information

• Chemical Name: Benzothiazol-2-yl-(2,6-dimethyl-phenyl)-amine
• CAS No.: 54708-13-3
• Molecular Formula: C15H14N2S
• Molecular Weight: 254.35
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30356168
• Nikkaji Number: J3.214.169B
• Wikidata: Q82135387
• Mol file: 54708-13-3.mol

Synonyms:Benzothiazol-2-yl-(2,6-dimethyl-phenyl)-amine;54708-13-3;N-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine;2-(2,6-dimethylphenyl)aminobenzothiazole;DTXSID30356168;AKOS000115466;CS-0280066;EN300-02422;benzo[d]thiazol-2-yl-(2,6-dimethylphenyl)amine;N-(2,6-Dimethylphenyl)benzo[d]thiazol-2-amine;N-(2,6-Dimethylphenyl)benzo[d]thiazol-2-amineE;Z56856650

Chemical Property of Benzothiazol-2-yl-(2,6-dimethyl-phenyl)-amine

Chemical Property:

• Vapor Pressure: 3.29E-06mmHg at 25°C
• Melting Point: 224 °C
• Boiling Point: 387.5°C at 760 mmHg
• PKA: 2.85±0.10(Predicted)
• Flash Point: 188.1°C
• PSA: 53.16000
• Density: 1.241g/cm³
• LogP: 4.72970
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 254.08776963
• Heavy Atom Count: 18
• Complexity: 274

Purity/Quality:

99% ^*data from raw suppliers

BENZOTHIAZOL-2-YL-(2,6-DIMETHYL-PHENYL)-AMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C)NC2=NC3=CC=CC=C3S2

Technology Process of Benzothiazol-2-yl-(2,6-dimethyl-phenyl)-amine

There total 3 articles about Benzothiazol-2-yl-(2,6-dimethyl-phenyl)-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: 89.0%

2-iodophenylamine (615-43-0) + 2,6-dimethylphenylisothiocyanate (19241-16-8) → N-(2, 6-dimethylphenyl)benzo[d]thiazol-2-amine (54708-13-3)

Guidance literature:

With 1,10-Phenanthroline; sodium hydrogencarbonate; In water; at 80 ℃; for 2h;

DOI:10.1002/adsc.201200175

Reference yield: 82.0%

2,6-dimethylphenyl isonitrile (119072-54-7,2769-71-3) + 2-amino-benzenethiol (137-07-5) → N-(2, 6-dimethylphenyl)benzo[d]thiazol-2-amine (54708-13-3)

Guidance literature:

With dipotassium peroxodisulfate; sodium acetate; cobalt(II) diacetate tetrahydrate; In 1,4-dioxane; at 100 ℃; for 18h;

DOI:10.1002/chem.201300239

Reference yield:

C15H16N2S2 → N-(2, 6-dimethylphenyl)benzo[d]thiazol-2-amine (54708-13-3)

Guidance literature:

With 1,1'-(ethane-1,2-diyl)dipyridinium bistribromide; triethylamine; In acetonitrile; at 20 ℃;

DOI:10.1021/cc100124q

upstream raw materials:

2-iodophenylamine

2,6-dimethylphenylisothiocyanate

2,6-dimethylphenyl isonitrile

2-amino-benzenethiol

Refernces

• 1、 Zhang, Wu,Yue, Yun,Yu, Dan,Song, Lei,Xu, Yang-Yang,Tian, Yu-Jie,Guo, Yu-Jun. "1,10-Phenanthroline-catalyzed tandem reaction of 2-iodoanilines with isothiocyanates in water". supporting information. p. 2283 - 2287. Retrieved 2012/11/07.