4-Methoxy-2-benzothiazolecarboxamide

Base Information

• Chemical Name: 4-Methoxy-2-benzothiazolecarboxamide
• CAS No.: 7267-29-0
• Molecular Formula: C₉H₈N₂O₂S
• Molecular Weight: 208.241
• DSSTox Substance ID: DTXSID301290710
• Mol file: 7267-29-0.mol

Synonyms:7267-29-0;4-Methoxy-2-benzothiazolecarboxamide;SCHEMBL1038566;DTXSID301290710

Chemical Property of 4-Methoxy-2-benzothiazolecarboxamide

Chemical Property:

• PSA: 93.45000
• LogP: 2.10410
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 208.03064868
• Heavy Atom Count: 14
• Complexity: 237

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C2C(=CC=C1)SC(=N2)C(=O)N

Technology Process of 4-Methoxy-2-benzothiazolecarboxamide

There total 4 articles about 4-Methoxy-2-benzothiazolecarboxamide 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: 76.0%

2-(2-methoxy-phenylamino)-2-thioxo-acetamide (328961-25-7) → 2-((2-methoxyphenyl)amino)-2-thioxoacetic acid (7267-58-5) + 2-Carbamoyl-4-methoxy-benzothiazol (7267-29-0)

Guidance literature:

With sodium hydroxide; potassium hexacyanoferrate(III); In water;

DOI:10.1023/A:1015082318393

Reference yield:

4-methoxybenzo[d]thiazole-2-carboxylic acid methyl ester (7267-28-9) → 2-Carbamoyl-4-methoxy-benzothiazol (7267-29-0)

Guidance literature:

With ammonia; In methanol;

DOI:10.1021/jo01343a039

Reference yield:

4-methoxybenzo[d]thiazole-2-carboxylic acid (3507-48-0) → 2-Carbamoyl-4-methoxy-benzothiazol (7267-29-0)

Guidance literature:

Multi-step reaction with 2 steps

1: HCl

2: NH₃ / methanol

With hydrogenchloride; ammonia; In methanol;

DOI:10.1021/jo01343a039

upstream raw materials:

4-methoxybenzo[d]thiazole-2-carboxylic acid methyl ester

2-(2-methoxy-phenylamino)-2-thioxo-acetamide

2-methoxy-phenylamine

4-methoxybenzo[d]thiazole-2-carboxylic acid

Downstream raw materials:

2-Cyan-4-hydroxy-benzothiazol

4-methoxybenzo[d]thiazole-2-carbonitrile