5-(1,3-Benzothiazol-2-yl)thiophene-2-carboxylic acid

Base Information

• Chemical Name: 5-(1,3-Benzothiazol-2-yl)thiophene-2-carboxylic acid
• CAS No.: 380431-21-0
• Molecular Formula: C₁₂H₇NO₂S₂
• Molecular Weight: 261.325
• European Community (EC) Number: 822-882-3
• Mol file: 380431-21-0.mol

Synonyms:380431-21-0;5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylic acid;5-Benzothiazol-2-yl-thiophene-2-carboxylic acid;5-(Benzo[d]thiazol-2-yl)thiophene-2-carboxylic acid;AF-399/25041001;AKOS000114862;EN300-00707;AB00711877-01;A913056;SR-01000032089;5-(Benzo[d]thiazol-2-yl)thiophene-2-carboxylicacid;SR-01000032089-1;Z56824375

Chemical Property of 5-(1,3-Benzothiazol-2-yl)thiophene-2-carboxylic acid

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 260.99182081
• Heavy Atom Count: 17
• Complexity: 313

Purity/Quality:

97% ^*data from raw suppliers

5-(Benzo[d]thiazol-2-yl)thiophene-2-carboxylicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)C3=CC=C(S3)C(=O)O

Technology Process of 5-(1,3-Benzothiazol-2-yl)thiophene-2-carboxylic acid

There total 4 articles about 5-(1,3-Benzothiazol-2-yl)thiophene-2-carboxylic acid 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: 63.0%

5-(benzo[d]thiazol-2-yl)thiophene-2-carbaldehyde (610258-82-7) → 2-(5'-carboxy-2'-thienyl)benzothiazole (380431-21-0)

Guidance literature:

With potassium dichromate; sulfuric acid; In water; for 2h; Heating;

DOI:10.1134/S1070427210090181

Reference yield:

2-Thiophenecarbonyl chloride (5271-67-0) → 2-(5'-carboxy-2'-thienyl)benzothiazole (380431-21-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 1-methyl-pyrrolidin-2-one / 2 h / Reflux

2: polyphosphoric acid / 10 h / 100 - 120 °C

3: potassium dichromate; sulfuric acid / water / 2 h / Heating

With potassium dichromate; sulfuric acid; In 1-methyl-pyrrolidin-2-one; water;

DOI:10.1134/S1070427210090181

Reference yield:

2-thiophen-2-yl-benzothiazole (34243-38-4) → 2-(5'-carboxy-2'-thienyl)benzothiazole (380431-21-0)

Guidance literature:

Multi-step reaction with 2 steps

1: polyphosphoric acid / 10 h / 100 - 120 °C

2: potassium dichromate; sulfuric acid / water / 2 h / Heating

With potassium dichromate; sulfuric acid; In water;

DOI:10.1134/S1070427210090181

upstream raw materials:

2-Thiophenecarbonyl chloride

5-(benzo[d]thiazol-2-yl)thiophene-2-carbaldehyde

2-thiophen-2-yl-benzothiazole

2-amino-benzenethiol

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