Methyl benzo[d]thiazole-2-carboxylate

Base Information

• Chemical Name: Methyl benzo[d]thiazole-2-carboxylate
• CAS No.: 87802-07-1
• Molecular Formula: C9H7 N O2 S
• Molecular Weight: 193.226
• Hs Code.: 2934200090
• DSSTox Substance ID: DTXSID10358569
• Nikkaji Number: J1.484.002H
• Wikidata: Q82139218
• ChEMBL ID: CHEMBL1530467
• Mol file: 87802-07-1.mol

Synonyms:Methyl benzo[d]thiazole-2-carboxylate;87802-07-1;methyl 1,3-benzothiazole-2-carboxylate;benzothiazole-2-carboxylic acid methyl ester;MLS000546692;2-Benzothiazolecarboxylicacid, methyl ester;SCHEMBL4345364;CHEMBL1530467;DTXSID10358569;HMS2378N16;Methylbenzo[d]thiazole-2-carboxylate;AKOS006273693;methyl-1,3-benzothiazole-2-carboxylate;SMR000114653;2-benzothiazolecarboxylic acid methyl ester;CS-0326142;D87568

Chemical Property of Methyl benzo[d]thiazole-2-carboxylate

Chemical Property:

• PSA: 67.43000
• LogP: 2.08290
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 193.01974964
• Heavy Atom Count: 13
• Complexity: 210

Purity/Quality:

99%min ^*data from raw suppliers

Methylbenzo[d]thiazole-2-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=NC2=CC=CC=C2S1

Technology Process of Methyl benzo[d]thiazole-2-carboxylate

There total 3 articles about Methyl benzo[d]thiazole-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: 70.0%

1,3-Benzothiazole (95-16-9) + oxalic acid monomethyl ester (600-23-7) → 2-Methylbenzothiazole (120-75-2) + benzothiazole-2-carboxylic acid methyl ester (87802-07-1)

Guidance literature:

With sodium persulfate; sulfuric acid; silver nitrate; In dichloromethane; for 1.5h; Heating;

DOI:10.1016/S0040-4039(00)79599-2

Reference yield: 70.0%

methanol (67-56-1) + 1,3-benzothiazole-2-carbohydrazide (28891-34-1) → 2-carboxybenzothiazole (3622-04-6) + benzothiazole-2-carboxylic acid methyl ester (87802-07-1)

Guidance literature:

With [bis(acetoxy)iodo]benzene; at 10 ℃; for 6h;

Reference yield: 18.0%

methanol (67-56-1) + benzothiazole-2-carboxylic acid ethyl ester (32137-76-1) → 1,3-Benzothiazole (95-16-9) + benzothiazole-2-carboxylic acid methyl ester (87802-07-1)

Guidance literature:

With hydrogenchloride; at 50 ℃; overnight;

upstream raw materials:

1,3-Benzothiazole

oxalic acid monomethyl ester

methanol

benzothiazole-2-carboxylic acid ethyl ester

Downstream raw materials:

2-(2-oxo-3H-1,3,4-oxadiazole-5-yl)benzthiazole

Refernces

• 1、 Coppa, Fausta,Fontana, Francesca,Lazzarini, Edoardo,Minisci, Francesco,Pianese, Guiseppe,Zhao, Lihua. "A Novel Convenient and Selective Alkoxycarbonylation of Heteroaromatic Bases by Oxalic Acid Monoesters". . p. 3057 - 3060. Retrieved 2007/10/02.