1h-Thieno[2,3-d]imidazole-5-carboxylic acid

Base Information

• Chemical Name: 1h-Thieno[2,3-d]imidazole-5-carboxylic acid
• CAS No.: 193066-59-0
• Molecular Formula: C₆H₄N₂O₂S
• Molecular Weight: 168.176
• DSSTox Substance ID: DTXSID80571420
• Nikkaji Number: J861.037A
• Wikidata: Q82459500
• Mol file: 193066-59-0.mol

Synonyms:1h-thieno[2,3-d]imidazole-5-carboxylic acid;193066-59-0;1H-Thieno[2,3-d]imidazole-5-carboxylic acid (9CI);3H-Thieno[2,3-d]imidazole-5-carboxylic acid;SCHEMBL9848734;DTXSID80571420;CS-0499245

Chemical Property of 1h-Thieno[2,3-d]imidazole-5-carboxylic acid

Chemical Property:

• PSA: 94.22000
• LogP: 1.32260
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 167.99934855
• Heavy Atom Count: 11
• Complexity: 187

Purity/Quality:

3H-Thieno[2,3-d]imidazole-5-carboxylicacid 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(SC2=C1NC=N2)C(=O)O

Technology Process of 1h-Thieno[2,3-d]imidazole-5-carboxylic acid

There total 2 articles about 1h-Thieno[2,3-d]imidazole-5-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: 75.0%

1-Vinyl-1H-thieno[2,3-d]imidazole-5-carboxylic acid (193066-57-8) → 1H-thieno[2,3-d]imidazole-5-carboxylic acid (193066-59-0)

Guidance literature:

With dimethylsulfide; ozone; In methanol; 1.) -78 deg C; 2.) RT;

DOI:10.1016/S0040-4039(97)00957-X

Reference yield:

1-Vinyl-1H-thieno[2,3-d]imidazole-5-carboxylic acid ethyl ester (193066-56-7) → 1H-thieno[2,3-d]imidazole-5-carboxylic acid (193066-59-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / LiOH / tetrahydrofuran / Heating

2: 75 percent / O₃/Me₂S / methanol / 1.) -78 deg C; 2.) RT

With lithium hydroxide; dimethylsulfide; ozone; In tetrahydrofuran; methanol;

DOI:10.1016/S0040-4039(97)00957-X

upstream raw materials:

1-Vinyl-1H-thieno[2,3-d]imidazole-5-carboxylic acid

1-Vinyl-1H-thieno[2,3-d]imidazole-5-carboxylic acid ethyl ester

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