4-(6-Bromo-2-benzothiazolyl)-N-methylbenzenamine

Base Information

• Chemical Name: 4-(6-Bromo-2-benzothiazolyl)-N-methylbenzenamine
• CAS No.: 566169-98-0
• Molecular Formula: C14H11BrN2S
• Molecular Weight: 319.225
• DSSTox Substance ID: DTXSID401235993
• Pharos Ligand ID: 1ZCGDZBHXSHM
• ChEMBL ID: CHEMBL328660
• Mol file: 566169-98-0.mol

Synonyms:4-(6-Bromo-2-benzothiazolyl)-N-methylbenzenamine;566169-98-0;CHEMBL328660;4-(6-bromo-1,3-benzothiazol-2-yl)-N-methylaniline;SCHEMBL2466803;DTXSID401235993;BDBM50129794;AKOS040744146;PD102321;HY-111513;CS-0042311;[4-(6-Bromo-benzothiazol-2-yl)-phenyl]-methyl-amine

Chemical Property of 4-(6-Bromo-2-benzothiazolyl)-N-methylbenzenamine

Chemical Property:

• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 317.98263
• Heavy Atom Count: 18
• Complexity: 281

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CNC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)Br

Technology Process of 4-(6-Bromo-2-benzothiazolyl)-N-methylbenzenamine

There total 12 articles about 4-(6-Bromo-2-benzothiazolyl)-N-methylbenzenamine 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: 50.0%

2-(4’-aminophenyl)-6-bromobenzothiazole (566169-97-9) + methyl iodide (74-88-4) → 2-(4'-methylaminophenyl)-6-bromobenzothiazole (566169-98-0)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 100 ℃; for 16h;

DOI:10.1021/jm030026b

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-(4’-aminophenyl)-6-bromobenzothiazole (566169-97-9) → 2-(4'-methylaminophenyl)-6-bromobenzothiazole (566169-98-0)

Guidance literature:

formaldehyd; 2-(4’-aminophenyl)-6-bromobenzothiazole; With sodium methylate; In tetrahydrofuran; methanol; at 65 ℃; for 12h;

With methanol; sodium tetrahydroborate; In tetrahydrofuran; at 25 - 65 ℃; for 1h;

Reference yield:

C14H9BrN2S → 2-(4'-methylaminophenyl)-6-bromobenzothiazole (566169-98-0)

Guidance literature:

With sodium cyanoborohydride; acetic acid; In methanol; at 20 ℃; for 1.5h; pH=6;

DOI:10.1016/j.bmc.2011.03.029

upstream raw materials:

2-(4’-aminophenyl)-6-bromobenzothiazole

methyl iodide

N-(4'-bromophenyl)-4-nitrobenzamide

4-nitro-benzoyl chloride

Downstream raw materials:

2-(4'-N-tert-butyloxycarbonyl-methylaminophenyl)-6-bromobenzothiazole