2-Amino-6-methylbenzothiazole

Base Information

• Chemical Name: 2-Amino-6-methylbenzothiazole
• CAS No.: 2536-91-6
• Deprecated CAS: 1293987-82-2
• Molecular Formula: C8H8N2S
• Molecular Weight: 164.231
• Hs Code.: 29342000
• European Community (EC) Number: 219-801-3
• NSC Number: 118944,12760
• UNII: 8372J8V89N
• DSSTox Substance ID: DTXSID0062501
• Nikkaji Number: J36.087B
• Wikidata: Q27269408
• ChEMBL ID: CHEMBL94512
• Mol file: 2536-91-6.mol

Synonyms:2-Amino-6-methylbenzothiazole;2536-91-6;6-Methyl-1,3-benzothiazol-2-amine;6-methylbenzo[d]thiazol-2-amine;2-Benzothiazolamine, 6-methyl-;6-Methyl-2-aminobenzothiazole;6-Methyl-2-benzothiazolylamine;2-Methylbenzothiazol-2-amine;BENZOTHIAZOLE, 2-AMINO-6-METHYL-;6-Methyl-benzothiazol-2-ylamine;2-AMINO-6-METHYLBENZO[D]THIAZOLE;SKF 1045;6-Methyl-2-benzothiazolamine;NSC 12760;2-Amino-6-methyl-benzothiazole;NSC 118944;6-Methylbenzothiazol-2-ylamine;EINECS 219-801-3;MFCD00005789;BRN 0122040;UNII-8372J8V89N;NSC-12760;6-methyl-1,3-benzothiazol-2-ylamine;8372J8V89N;NSC-118944;4-27-00-04909 (Beilstein Handbook Reference);WLN: T56 BN DSJ CZ G1;6-METHYLBENZO(D)THIAZOL-2-AMINE;2-Amino-6-methylbenzthiazol;Maybridge1_001143;SCHEMBL7535;6-Methylbenzothiazol-2-amine;MLS000532186;BIDD:GT0462;CHEMBL94512;6-methyl-2-amino benzothiazole;DTXSID0062501;2-amino-6-methylbenzo[d]thiazol;HMS544L21;HMS2493D03;BCP27310;NSC12760;NSC118944;STK345875;2-amino-6-methyl-1,3-benzothiazole;2-Amino-6-methylbenzothiazole, 98%;AKOS000104293;AC-6244;6-Methyl-1,3-benzothiazol-2-amine #;NCGC00245726-01;BENZOTHIAZOLE, 1-AMINO-5-METHYL-;LS-40680;SMR000137127;SY017797;A0714;AM20040030;BB 0245860;CS-0046181;FT-0611212;EN300-17900;W10175;5X-0809;A817822;AE-641/00127047;W-107241;Q27269408;Z57069881;F1911-0010;K2T

Chemical Property of 2-Amino-6-methylbenzothiazole

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.000287mmHg at 25°C
• Melting Point: 140-142 °C(lit.)
• Refractive Index: 1.726
• Boiling Point: 322 °C at 760 mmHg
• PKA: 4.41±0.10(Predicted)
• Flash Point: 148.6 °C
• PSA: 67.15000
• Density: 1.315 g/cm³
• LogP: 2.76810
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: soluble in Methanol
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 164.04081944
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-6-methylbenzothiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)N=C(S2)N
• Uses: 2-Amino-6-methylbenzothiazole was used in the preparation of 2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-N-[2-(substituted phenyl/furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]nicotinamides.

Technology Process of 2-Amino-6-methylbenzothiazole

There total 35 articles about 2-Amino-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: 97.0%

potassium thioacyanate (333-20-0) + p-toluidine (106-49-0,12221-03-3) → 6-methylbenzothiazol-2-ylamine (2536-91-6)

Guidance literature:

With sodium iodide dichloride; at 70 ℃; for 2h;

DOI:10.1055/s-0032-1317080

Reference yield: 94.0%

ammonium thiocyanate (1147550-11-5) + p-toluidine (106-49-0,12221-03-3) → 6-methylbenzothiazol-2-ylamine (2536-91-6)

Guidance literature:

With tris(2,2'-bipyridyl)ruthenium dichloride; In acetonitrile; at 20 ℃; for 10h; Irradiation;

DOI:10.1016/j.tetlet.2020.151700

Reference yield: 94.0%

ammonium thiocyanate + p-toluidine (106-49-0,12221-03-3) → 6-methylbenzothiazol-2-ylamine (2536-91-6)

Guidance literature:

With N,N,N-trimethylbenzenemethanaminium dichloroiodate; In water; dimethyl sulfoxide; at 70 ℃; for 1h; Solvent; Reagent/catalyst;

DOI:10.1016/j.tetlet.2021.153388

upstream raw materials:

6-methyl-1,3-benzothiazole-2(3H)-thione

p-methylphenylthiourea

sodium thiocyanide

p-toluidine

Downstream raw materials:

N-(6-methyl-benzothiazol-2-yl)-succinamic acid

N-(4-chlorophenyl)-6-methylbenzo[d]thiazol-2-amine

N-phenyl-N'-(6-methylbenzothiazol-2-yl)urea

N-phenyl-N'-(6-methyl)benzothiazolylthiocarbamide