4-Bromo-6-methyl-1,3-benzothiazol-2-amine

Base Information

• Chemical Name: 4-Bromo-6-methyl-1,3-benzothiazol-2-amine
• CAS No.: 76996-16-2
• Molecular Formula: C8H7 Br N2 S
• Molecular Weight: 243.12358
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60390974
• Wikidata: Q82188145
• Mol file: 76996-16-2.mol

Synonyms:76996-16-2;4-bromo-6-methyl-1,3-benzothiazol-2-amine;2-Amino-4-bromo-6-methylbenzothiazole;4-Bromo-6-methylbenzo[d]thiazol-2-amine;SCHEMBL2271143;DTXSID60390974;PBKFYZMSNJCLOA-UHFFFAOYSA-N;BDA99616;MFCD02664332;STK519567;AKOS000113156;FS-2063;4-Bromo-6-methylbenzothiazol-2-ylamine;CS-0376042;FT-0729614;2-AMINO-4-BROMO-6-METHYLBENZO[D]THIAZOLE;A917313

Chemical Property of 4-Bromo-6-methyl-1,3-benzothiazol-2-amine

Chemical Property:

• Vapor Pressure: 5.98E-06mmHg at 25°C
• Refractive Index: 1.747
• Boiling Point: 379.1°C at 760 mmHg
• Flash Point: 183.1°C
• PSA: 67.15000
• Density: 1.724g/cm³
• LogP: 3.53060
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 241.95133
• Heavy Atom Count: 12
• Complexity: 178

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-6-methylbenzo[d]thiazol-2-amine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Bromo-6-methyl-1,3-benzothiazol-2-amine

There total 6 articles about 4-Bromo-6-methyl-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: 92.0%

6-methylbenzothiazol-2-ylamine (2536-91-6) → 2-amino-4-bromo-6-methylbenzothiazole (76996-16-2)

Guidance literature:

With bromine; In chloroform; at 20 ℃; for 2h;

Reference yield: 45.0%

2-bromo-p-toluidine (583-68-6) + sodium thiocyanide (540-72-7) → 2-amino-4-bromo-6-methylbenzothiazole (76996-16-2)

Guidance literature:

With bromine; In acetic acid; at 5 - 20 ℃; for 1h;

DOI:10.1002/jhet.885

Reference yield:

p-methylphenylthiourea (622-52-6) → 2-amino-4-bromo-6-methylbenzothiazole (76996-16-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 84 percent / HBr / H₂SO₄ / 2 h / 80 °C

2: 92 percent / Br / CHCl₃ / 2 h / 20 °C

With hydrogen bromide; bromine; In chloroform; sulfuric acid;

upstream raw materials:

2-bromo-p-toluidine

sodium thiocyanide

6-methylbenzothiazol-2-ylamine

p-methylphenylthiourea

Downstream raw materials:

2,4-dibromo-6-methylbenzothiazole

C₁₀H₁₀BrN₃OS

4-(3-chloro-4-fluorophenyl)-6-methylbenzo[d]thiazol-2-amine

dibenzyl-(4-bromo-6-methyl-benzothiazol-2-yl)-amine