2-Chloro-4-methoxy-7-methyl-1,3-benzothiazole

Base Information

• Chemical Name: 2-Chloro-4-methoxy-7-methyl-1,3-benzothiazole
• CAS No.: 108773-00-8
• Molecular Formula: C₉H₈ClNOS
• Molecular Weight: 213.688
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60365965
• Wikidata: Q82151011
• Mol file: 108773-00-8.mol

Synonyms:108773-00-8;2-chloro-4-methoxy-7-methyl-1,3-benzothiazole;2-Chloro-4-methoxy-7-methyl-benzothiazole;Benzothiazole, 2-chloro-4-methoxy-7-methyl- (9CI);2-chloro-4-methoxy-7-methylbenzo[d]thiazole;DTXSID60365965;AKOS005208112;BS-53211;benzothiazole,2-chloro-4-methoxy-7-methyl-;CS-0076335;E76634;EN300-237736;F1910-0029

Chemical Property of 2-Chloro-4-methoxy-7-methyl-1,3-benzothiazole

Chemical Property:

• PSA: 50.36000
• LogP: 3.26670
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 213.0015127
• Heavy Atom Count: 13
• Complexity: 193

Purity/Quality:

98% ^*data from raw suppliers

2-Chloro-4-methoxy-7-methyl-benzothiazole 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=C(C=C1)OC)N=C(S2)Cl
• Uses: 2-Chloro-4-methoxy-7-methylbenzothiazole is used in the synthesis of non-catechol D-1 and D-2 dopamine receptor agonists

Technology Process of 2-Chloro-4-methoxy-7-methyl-1,3-benzothiazole

There total 1 articles about 2-Chloro-4-methoxy-7-methyl-1,3-benzothiazole 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:

4-methoxy-7-methylbenzo[d]thiazol-2-amine (88686-30-0) → 2-chloro-4-methoxy-7-methylbenzothiazole (108773-00-8)

Guidance literature:

With phosphoric acid; copper(II) sulfate; sodium chloride; sodium nitrite; Yield given. Multistep reaction; 1.) H₂O, -10 to 0 deg C, 30 min, 2.) H₂O, -5 deg C, 1 h;

DOI:10.1021/jm00390a009

Reference yield: 79.0%

sodium methylate (124-41-4) + 2-chloro-4-methoxy-7-methylbenzothiazole (108773-00-8) → 2,4-dimethoxy-7-methylbenzothiazole (108773-01-9)

Guidance literature:

In methanol; for 3.5h; Heating;

DOI:10.1021/jm00390a009

upstream raw materials:

4-methoxy-7-methylbenzo[d]thiazol-2-amine

Downstream raw materials:

2,4-dimethoxy-7-methylbenzothiazole

Refernces