Methyl 2-aminobenzo[D]thiazole-5-carboxylate

Base Information

• Chemical Name: Methyl 2-aminobenzo[D]thiazole-5-carboxylate
• CAS No.: 209459-07-4
• Molecular Formula: C₉H₈N₂O₂S
• Molecular Weight: 208.241
• Hs Code.: 2934200090
• European Community (EC) Number: 894-914-4
• DSSTox Substance ID: DTXSID40589864
• Wikidata: Q82483492
• Mol file: 209459-07-4.mol

Synonyms:209459-07-4;METHYL 2-AMINOBENZO[D]THIAZOLE-5-CARBOXYLATE;METHYL 2-AMINO-1,3-BENZOTHIAZOLE-5-CARBOXYLATE;2-amino benzothiazole-5-carboxylic acid methyl ester;2-Aminobenzothiazole-5-carboxylic acid methyl ester;MFCD09263763;5-Benzothiazolecarboxylicacid,2-amino-,methylester;5-Benzothiazolecarboxylic acid, 2-amino-, methyl ester;AMH_001;Methyl 2-Aminobenzothiazole-5-carboxylate;UPENN_ABS_030;SCHEMBL1121708;DTXSID40589864;STL377086;AKOS000111184;SY102727;methyl 2-amino-benzothiazole-5-carboxylate;DB-355434;CS-0136151;EN300-7424262;A919359;2-amino-benzothiazole-5-carboxylic acid methyl ester;METHYL2-AMINOBENZO[D]THIAZOLE-5-CARBOXYLATE;Methyl 2-aminobenzo[d]thiazole-5-carboxylate, AldrichCPR

Chemical Property of Methyl 2-aminobenzo[D]thiazole-5-carboxylate

Chemical Property:

• PSA: 93.45000
• LogP: 2.24630
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 208.03064868
• Heavy Atom Count: 14
• Complexity: 237

Purity/Quality:

99%, ^*data from raw suppliers

Methyl 2-aminobenzo[d]thiazole-5-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC2=C(C=C1)SC(=N2)N

Technology Process of Methyl 2-aminobenzo[D]thiazole-5-carboxylate

There total 1 articles about Methyl 2-aminobenzo[D]thiazole-5-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: 79.0%

3-nitro-4-thiocyanato-benzoic acid methyl ester (6083-80-3) → methyl 2-aminobenzo[d]thiazole-5-carboxylate (209459-07-4)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In acetic acid; for 72h; under 2844.39 Torr;

Reference yield:

methyl 2-aminobenzo[d]thiazole-5-carboxylate (209459-07-4) + 4-methyl-benzoyl chloride (874-60-2) → methyl 2-((4-methylbenzyl)amino)benzo[d]thiazole-5-carboxylate

Guidance literature:

Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine / dichloromethane / 2 h / 0 - 20 °C

2: borane-THF / 3 h / Reflux

With borane-THF; N-ethyl-N,N-diisopropylamine; In dichloromethane;

upstream raw materials:

3-nitro-4-thiocyanato-benzoic acid methyl ester

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