2-(4-Aminophenyl)-6-methylbenzothiazole

Base Information

• Chemical Name: 2-(4-Aminophenyl)-6-methylbenzothiazole
• CAS No.: 92-36-4
• Molecular Formula: C14H12 N2 S
• Molecular Weight: 240.329
• Hs Code.: 2934999090
• European Community (EC) Number: 202-150-4
• NSC Number: 57678,15370
• UNII: 69UN466K3Z
• DSSTox Substance ID: DTXSID5024502
• Nikkaji Number: J4.653A
• Wikidata: Q27264381
• Pharos Ligand ID: JG55N5GRUY3K
• ChEMBL ID: CHEMBL93109
• Mol file: 92-36-4.mol

Synonyms:dehydrothio-4-toluidine;dehydrothio-p-toluidine

Chemical Property of 2-(4-Aminophenyl)-6-methylbenzothiazole

Chemical Property:

• Appearance/Colour: Light tan or light orange powder. Solutions have a violet-blue fluorescence.
• Vapor Pressure: 8.62E-08mmHg at 25°C
• Melting Point: 191-196 ºC
• Refractive Index: 1.5700 (estimate)
• Boiling Point: 434 ºC
• PKA: 2.79±0.10(Predicted)
• Flash Point: 217.3 °C
• PSA: 67.15000
• Density: 1.264 g/cm³
• LogP: 4.43510
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: <0.1 g/100 mL at 20℃
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 240.07211956
• Heavy Atom Count: 17
• Complexity: 263

Purity/Quality:

99.9% ^*data from raw suppliers

4-(6-Methyl-1,3-benzothiazol-2-yl)aniline 95.0% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N

Technology Process of 2-(4-Aminophenyl)-6-methylbenzothiazole

There total 18 articles about 2-(4-Aminophenyl)-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: 95.0%

6-methyl-2-(4'-nitrophenyl)-1,3-benzothiazole (488722-57-2) → 2-(4-aminophenyl)-6-methyl-1,3-benzothiazole (92-36-4)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In dichloromethane; at 25 ℃; for 4h; Inert atmosphere;

DOI:10.1016/j.bmc.2010.04.082

Reference yield: 95.0%

→ 2-(4-aminophenyl)-6-methyl-1,3-benzothiazole (92-36-4)

Guidance literature:

Reference yield: 86.0%

4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) + 2-amino-5-methylthiophenol (23451-96-9) → 2-(4-aminophenyl)-6-methyl-1,3-benzothiazole (92-36-4)

Guidance literature:

With melamine formaldehyde resin supported sulfuric acid; Microwave irradiation;

DOI:10.1134/S1070363215030251

upstream raw materials:

p-toluidine

N,N-diphenylthiourea

N,N'-Bis(p-tolyl)thiourea

aniline

Downstream raw materials:

2-(4-amino-3-bromophenyl)-6-methyl-benzothiazole

2-(4-Azidophenyl)-6-methylbenzothiazole

6,6-Dimethyl-1-[4-(6-methyl-benzothiazol-2-yl)-phenyl]-1,6-dihydro-[1,3,5]triazine-2,4-diamine; hydrochloride

2-amino-5-(6-methyl-benzothiazol-2-yl)-benzenethiol

Refernces

• 1、 Hu, Min-Qi,Li, Heng,Lin, Ying,Tang, Jie,Tang, Wei,Tong, Xian-Kun,Yang, Fan,Yu, Li-Fang,Zhang, Ying,Zuo, Jian-Ping. "1-Phenyl-: N -(benzothiazol-2-yl)methanimine derivatives as Middle East respiratory syndrome coronavirus inhibitors". . p. 43299 - 43311. Retrieved 2020/12/25.
• 2、 Tomoshige, Shusuke,Nomura, Sayaka,Ohgane, Kenji,Hashimoto, Yuichi,Ishikawa, Minoru. "Discovery of Small Molecules that Induce the Degradation of Huntingtin". . p. 11530 - 11533. Retrieved 2017/09/11.