4,7-Dimethyl-1,3-benzothiazol-2-amine

Base Information

• Chemical Name: 4,7-Dimethyl-1,3-benzothiazol-2-amine
• CAS No.: 78584-08-4
• Molecular Formula: C₉H₁₀N₂S
• Molecular Weight: 178.258
• Hs Code.: 29342000
• European Community (EC) Number: 823-383-3
• DSSTox Substance ID: DTXSID50365974
• Wikidata: Q82151019
• ChEMBL ID: CHEMBL1730367
• Mol file: 78584-08-4.mol

Synonyms:2-amino-4,7-dimethylbenzothiazole;PGL-135

Chemical Property of 4,7-Dimethyl-1,3-benzothiazol-2-amine

Chemical Property:

• Vapor Pressure: 0.000125mmHg at 25°C
• Boiling Point: 334.8°C at 760 mmHg
• Flash Point: 156.3°C
• PSA: 67.15000
• Density: 1.263g/cm³
• LogP: 3.07650
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 178.05646950
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

97% ^*data from raw suppliers

4,7-Dimethyl-1,3-benzothiazol-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=C(C=C1)C)SC(=N2)N

Technology Process of 4,7-Dimethyl-1,3-benzothiazol-2-amine

There total 3 articles about 4,7-Dimethyl-1,3-benzothiazol-2-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: 53.0%

1-(2,5-dimethylphenyl)thiourea (16738-19-5) → 4,7-dimethylbenzo[d]thiazol-2-amine (78584-08-4)

Guidance literature:

With bromine; In dichloromethane; for 3h; Reflux;

Reference yield:

2,5-Dimethylaniline (95-78-3) + ammonium thiocyanate (1147550-11-5) → 4,7-dimethylbenzo[d]thiazol-2-amine (78584-08-4)

Guidance literature:

With bromine; In acetic acid; at 10 - 20 ℃; for 3h;

DOI:10.1002/ardp.201600003

Reference yield:

2,5-Dimethylaniline (95-78-3) → 4,7-dimethylbenzo[d]thiazol-2-amine (78584-08-4)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride / water / 3 h / Reflux

2: bromine / dichloromethane / 3 h / Reflux

With hydrogenchloride; bromine; In dichloromethane; water;

upstream raw materials:

1-(2,5-dimethylphenyl)thiourea

2,5-Dimethylaniline

ammonium thiocyanate

Downstream raw materials:

2-amino-3,6-dimethylbenzenethiol

C₃₀H₂₈N₂O₂S₂

C₃₂H₃₂N₂O₂S₂

C₃₀H₂₆Br₂N₂O₂S₂