4-(6-Bromo-2-benzothiazolyl)benzenamine

Base Information

• Chemical Name: 4-(6-Bromo-2-benzothiazolyl)benzenamine
• CAS No.: 566169-97-9
• Molecular Formula: C13H9BrN2S
• Molecular Weight: 305.198
• DSSTox Substance ID: DTXSID80438347
• Nikkaji Number: J3.047.991B
• Wikidata: Q82254062
• Pharos Ligand ID: J4WUM85NW9VW
• ChEMBL ID: CHEMBL92852
• Mol file: 566169-97-9.mol

Synonyms:4-(6-Bromo-2-benzothiazolyl)benzenamine;566169-97-9;4-(6-bromo-1,3-benzothiazol-2-yl)aniline;4-(6-Bromobenzo[d]thiazol-2-yl)aniline;CHEMBL92852;SCHEMBL2461395;DTXSID80438347;BDBM50129783;4-(6-Bromobenzothiazole-2-yl)aniline;AKOS017549675;PD102319;4-(6-Bromo-benzothiazol-2-yl)-phenylamine;HY-111514;CS-0042312;[4-(6-bromo-1,3-benzothiazol-2-yl)phenyl]amine

Chemical Property of 4-(6-Bromo-2-benzothiazolyl)benzenamine

Chemical Property:

• PSA: 67.15000
• LogP: 4.88920
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 303.96698
• Heavy Atom Count: 17
• Complexity: 268

Purity/Quality:

97% ^*data from raw suppliers

4-(6-Bromo-2-benzothiazolyl)benzenamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NC3=C(S2)C=C(C=C3)Br)N
• Uses: 4-(6-Bromo-2-benzothiazolyl)benzenamine, is a β-amyloid PET (positron emission tomography) tracer that can be used in the diagnosis of neurological diseases, such as Alzheimer''s and Down''s syndrome.

Technology Process of 4-(6-Bromo-2-benzothiazolyl)benzenamine

There total 14 articles about 4-(6-Bromo-2-benzothiazolyl)benzenamine 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: 90.0%

6-bromo-2-(4-nitrophenyl)benzo[d]thiazole (566169-96-8) → 2-(4’-aminophenyl)-6-bromobenzothiazole (566169-97-9)

Guidance literature:

With ethanol; tin(ll) chloride; at 100 ℃; for 1h; Inert atmosphere;

Reference yield: 70.0%

2,2′-disulfanediylbis(4-bromoaniline) (182499-80-5) + 4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) → 2-(4’-aminophenyl)-6-bromobenzothiazole (566169-97-9)

Guidance literature:

2,2′-disulfanediylbis(4-bromoaniline); With tributylphosphine; In toluene; for 0.166667h;

4-amino-benzoic acid; In toluene; for 48h; Reflux;

DOI:10.1016/j.tetlet.2017.04.078

Reference yield:

2-amino-5-bromobenzenethiol (23451-95-8) → 2-(4’-aminophenyl)-6-bromobenzothiazole (566169-97-9)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethyl sulfoxide / 0.5 h / 180 °C

2: ethanol; tin(ll) chloride / 2 h / 90 °C / Inert atmosphere

With ethanol; tin(ll) chloride; In dimethyl sulfoxide;

DOI:10.1016/j.bmc.2011.03.029

upstream raw materials:

6-bromo-2-(4-nitrophenyl)benzo[d]thiazole

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

4-nitro-benzoyl chloride

4-bromo-aniline

Downstream raw materials:

2-(4'-methylaminophenyl)-6-bromobenzothiazole

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

N-[4-(6-bromobenzo[d]thiazol-2-yl)phenyl]formamide

4-(6-bromobenzo[d]thiazol-2-yl)-N-(⁽¹¹⁾C-methyl)aniline