4H-thieno[3,2-b]pyrrole-5-carboxylic acid

Base Information

• Chemical Name: 4H-thieno[3,2-b]pyrrole-5-carboxylic acid
• CAS No.: 39793-31-2
• Molecular Formula: C7H5NO2S
• Molecular Weight: 167.188
• Hs Code.: 2934999090
• European Community (EC) Number: 803-727-9
• DSSTox Substance ID: DTXSID60406887
• Wikidata: Q27455143
• Pharos Ligand ID: D8WAQ98YQLDN
• ChEMBL ID: CHEMBL507614
• Mol file: 39793-31-2.mol

Synonyms:4H-thieno(3,2-b)pyrrole-5-carboxylic acid

Chemical Property of 4H-thieno[3,2-b]pyrrole-5-carboxylic acid

Chemical Property:

• Vapor Pressure: 2E-08mmHg at 25°C
• Melting Point: 180oC
• Boiling Point: 437.4oC at 760 mmHg
• Flash Point: 218.3oC
• PSA: 81.33000
• Density: 1.609g/cm3
• LogP: 1.92760
• Storage Temp.: +2C to +8C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 167.00409958
• Heavy Atom Count: 11
• Complexity: 185

Purity/Quality:

99%, ^*data from raw suppliers

4H-Thieno[3,2-b]pyrrole-5-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 22-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC2=C1NC(=C2)C(=O)O

Technology Process of 4H-thieno[3,2-b]pyrrole-5-carboxylic acid

There total 1 articles about 4H-thieno[3,2-b]pyrrole-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: 98.0%

thieno<3,2-b>pyrrole-5-carboxylic acid methyl ester (82782-85-2) → 4H-thieno[3,2-b]pyrrole-5-carboxylic acid (39793-31-2)

Guidance literature:

With potassium hydroxide; In methanol; water; at 60 ℃; for 16h;

DOI:10.1002/anie.201502868

Reference yield: 86.0%

4H-thieno[3,2-b]pyrrole-5-carboxylic acid (39793-31-2) + diazomethyl-trimethyl-silane (18107-18-1) → thieno<3,2-b>pyrrole-5-carboxylic acid methyl ester (82782-85-2)

Guidance literature:

4H-thieno[3,2-b]pyrrole-5-carboxylic acid; diazomethyl-trimethyl-silane; In methanol; hexanes; at 0 ℃; for 0.166667h;

With water; acetic acid;

Reference yield: 78.0%

4H-thieno[3,2-b]pyrrole-5-carboxylic acid (39793-31-2) + methyl iodide (74-88-4) → thieno<3,2-b>pyrrole-5-carboxylic acid methyl ester (82782-85-2)

Guidance literature:

With potassium hydrogencarbonate; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 16h;

DOI:10.1021/jm300214e

upstream raw materials:

thieno<3,2-b>pyrrole-5-carboxylic acid methyl ester

Downstream raw materials:

thieno<3,2-b>pyrrole-5-carboxylic acid methyl ester

ethyl 4H-thieno[3,2-b]pyrrole-5-carboxylate

(4H-thieno[3,2-b]pyrrol-5-yl)methanol

4H-thieno[3,2-b]pyrrole-5-carbonyl chloride

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