Methyl 6-methoxy-1,3-benzothiazole-2-carboxylate

Base Information

• Chemical Name: Methyl 6-methoxy-1,3-benzothiazole-2-carboxylate
• CAS No.: 884-22-0
• Molecular Formula: C10H9 N O3 S
• Molecular Weight: 223.252
• Hs Code.: 29349990
• DSSTox Substance ID: DTXSID80350636
• Wikidata: Q82126680
• Mol file: 884-22-0.mol

Synonyms:884-22-0;methyl 6-methoxy-1,3-benzothiazole-2-carboxylate;Methyl 6-methoxybenzo[d]thiazole-2-carboxylate;methyl 6-methoxybenzothiazole-2-carboxylate;2-Benzothiazolecarboxylicacid,6-methoxy-,methylester(7CI,8CI,9CI);SCHEMBL7158014;DTXSID80350636;STK673884;AKOS005593326;CS-0264791;FT-0747656;Methyl6-methoxybenzo[d]thiazole-2-carboxylate;F81394;EN300-9450512;AG-205/37068047;SR-01000518034;SR-01000518034-1;2-benzothiazolecarboxylic acid,6-methoxy-,methyl ester;6-methoxybenzothiazole-2-carboxylic acid methyl ester;Z1509562449

Chemical Property of Methyl 6-methoxy-1,3-benzothiazole-2-carboxylate

Chemical Property:

• PSA: 76.66000
• LogP: 2.09150
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 223.03031432
• Heavy Atom Count: 15
• Complexity: 249

Purity/Quality:

99% ^*data from raw suppliers

2-Carbomethoxy-6-methoxybenzothiazole 97% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)N=C(S2)C(=O)OC

Technology Process of Methyl 6-methoxy-1,3-benzothiazole-2-carboxylate

There total 9 articles about Methyl 6-methoxy-1,3-benzothiazole-2-carboxylate 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: 82.0%

6-methoxy-1,3-benzothiazole (2942-13-4) + carbon dioxide (124-38-9,18923-20-1) + methyl iodide (74-88-4) → 6-methoxy-benzothiazole-2-carboxylic acid methyl ester (884-22-0)

Guidance literature:

6-methoxy-1,3-benzothiazole; carbon dioxide; With 3-benzyl-1-(1-((2,6-diisopropylphenyl)imino)ethyl)-1H-imidazol-3-ium chloride; potassium tert-butylate; In N,N-dimethyl-formamide; at 80 ℃; for 18h; under 760.051 Torr; Inert atmosphere;

methyl iodide; In N,N-dimethyl-formamide; at 65 ℃; for 1h; Inert atmosphere;

Reference yield: 67.0%

methanol (67-56-1) + 6-methoxybenzo[d]thiazol-2-carboxylic acid (946-13-4) → 6-methoxy-benzothiazole-2-carboxylic acid methyl ester (884-22-0)

Guidance literature:

With thionyl chloride; at 20 ℃; for 10h;

DOI:10.1021/jm060420k

Reference yield: 66.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 6-methoxybenzo[d]thiazol-2-carboxylic acid (946-13-4) → 6-methoxy-benzothiazole-2-carboxylic acid methyl ester (884-22-0)

Guidance literature:

In tetrahydrofuran; diethyl ether; at 20 ℃; for 2h;

DOI:10.1023/A:1015383007839

upstream raw materials:

diazomethane

6-methoxybenzo[d]thiazol-2-carboxylic acid

methanol

2-cyano-6-methoxybenzothiazole

Downstream raw materials:

6-methoxybenzothiazole-2-carboxylic acid hydrazide

methyl 6-hydroxybenzo[d]thiazole-2-carboxylate

6-hydroxybenzothiazole

2-(6’-hydroxy-2'-benzothiazolyl)-thiazole-4-carboxylic acid