6-Chloro-3-methyl-3H-benzothiazol-2-ylideneamine

Base Information

• Chemical Name: 6-Chloro-3-methyl-3H-benzothiazol-2-ylideneamine
• CAS No.: 58199-49-8
• Molecular Formula: C8H7ClN2S
• Molecular Weight: 198.67
• DSSTox Substance ID: DTXSID60365925
• Nikkaji Number: J692.042J
• Wikidata: Q82150966
• Mol file: 58199-49-8.mol

Synonyms:58199-49-8;6-Chloro-3-methyl-3H-benzothiazol-2-ylideneamine;6-chloro-3-methyl-2,3-dihydro-1,3-benzothiazol-2-imine;6-chloro-3-methyl-1,3-benzothiazol-2-imine;SCHEMBL11273812;DTXSID60365925;AKOS000122201;3-Methyl-6-chlorobenzothiazol-2(3H)-imine;EN300-02526;6-chloro-3-methylbenzo[d]thiazol-2(3H)-imine;6-chloro-3-methyl-3h-benzo[d]thiazol-2-ylideneamine;F1386-0370

Chemical Property of 6-Chloro-3-methyl-3H-benzothiazol-2-ylideneamine

Chemical Property:

• Vapor Pressure: 0.000885mmHg at 25°C
• Boiling Point: 304.2°C at 760 mmHg
• Flash Point: 137.8°C
• Density: 1.47g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 198.0018471
• Heavy Atom Count: 12
• Complexity: 209

Purity/Quality:

NLT 98% ^*data from raw suppliers

6-chloro-3-methyl-2,3-dihydro-1,3-benzothiazol-2-imine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C=C(C=C2)Cl)SC1=N

Technology Process of 6-Chloro-3-methyl-3H-benzothiazol-2-ylideneamine

There total 7 articles about 6-Chloro-3-methyl-3H-benzothiazol-2-ylideneamine 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: 93.0%

6-chloro-2-aminobenzothiazole (95-24-9) + methyl iodide (74-88-4) → 6-chloro-3-methyl-3H-benzothiazol-2-ylideneamine (58199-49-8)

Guidance literature:

In ethanol; for 15h; Heating;

DOI:10.1002/jhet.5570180425

Reference yield:

6-chloro-2-aminobenzothiazole (95-24-9) + dimethyl sulfate (77-78-1) → 6-chloro-N-methylbenzo[d]thiazol-2-amine (34551-19-4) + 6-chloro-3-methyl-3H-benzothiazol-2-ylideneamine (58199-49-8)

Guidance literature:

With sodium ethanolate;

Reference yield:

1-(4-chloro-phenyl)-1-methyl-thiourea (73901-45-8) → 6-chloro-3-methyl-3H-benzothiazol-2-ylideneamine (58199-49-8)

Guidance literature:

With chloroform; bromine;

upstream raw materials:

6-chloro-2-aminobenzothiazole

dimethyl sulfate

1-(4-chloro-phenyl)-1-methyl-thiourea

methyl iodide

Downstream raw materials:

5-chloro-2-methylamino-benzenethiol

C₁₅H₁₅ClN₄S

[4-Chloro-2-(2-chloro-4-nitro-phenylsulfanyl)-phenyl]-methyl-amine