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

Base Information

• Chemical Name: 4-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
• CAS No.: 117613-30-6
• Molecular Formula: C₈H₇NO₃
• Molecular Weight: 165.148
• Hs Code.: 2934999090
• European Community (EC) Number: 878-842-0
• DSSTox Substance ID: DTXSID30428213
• Mol file: 117613-30-6.mol

Synonyms:4-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid;117613-30-6;4-methylfuro[3,2-b]pyrrole-5-carboxylic acid;4H-Furo[3,2-b]pyrrole-5-carboxylicacid, 4-methyl-;SCHEMBL1340122;DTXSID30428213;BBL030848;MFCD07772855;STL146368;AKOS001875402;NS-01313;FT-0706258;C90708;EN300-114626;4-methyl-4H-furo[3,2-b]pyrrole-5-carboxylicacid;W-204950;F1907-1438;Z1201624163;4-Methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid, AldrichCPR

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

Chemical Property:

• Vapor Pressure: 1.92E-05mmHg at 25°C
• Melting Point: 200 °C
• Refractive Index: 1.633
• Boiling Point: 348.3 °C at 760 mmHg
• PKA: 3.94±0.30(Predicted)
• Flash Point: 164.4 °C
• PSA: 55.37000
• Density: 1.43 g/cm³
• LogP: 1.46950
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 165.042593085
• Heavy Atom Count: 12
• Complexity: 207

Purity/Quality:

98%Min ^*data from raw suppliers

4-Methyl-4H-furo[3,2-b]pyrrole-5-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Harmful:
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C=C1C(=O)O)OC=C2

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

There total 5 articles about 4-methyl-4H-furo[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: 95.0%

ethyl 4-methylfuro[3,2-b]pyrrole-5-carboxylate (106513-86-4) → 4-methylfuro[3,2-b]pyrrole-5-carboxylic acid (117613-30-6)

Guidance literature:

With water; lithium hydroxide; In ethanol; for 1h; Reflux;

DOI:10.1021/acs.jmedchem.6b01018

Reference yield:

C9H9NO3 (164667-61-2) → 4-methylfuro[3,2-b]pyrrole-5-carboxylic acid (117613-30-6)

Guidance literature:

With potassium hydroxide; In methanol; at 50 ℃; for 18h;

DOI:10.3390/ph14080828

Reference yield:

4H-Furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester (35405-94-8) → 4-methylfuro[3,2-b]pyrrole-5-carboxylic acid (117613-30-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / N,N-dimethyl-formamide / 20 °C

1.2: 1 h / 20 °C

2.1: lithium hydroxide; water / ethanol / 1 h / Reflux

With water; sodium hydride; lithium hydroxide; In ethanol; N,N-dimethyl-formamide;

DOI:10.1021/acs.jmedchem.6b01018

upstream raw materials:

4H-Furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester

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

furfural

C₉H₉NO₃

Refernces

• 1、 Angeli, Andrea,Brovarets, Volodymyr,Capasso, Clemente,De Luca, Viviana,Geronikaki, Athina,Kartsev, Victor,Panchishin, Svitlana Y.,Petrou, Anthi,Pinteala, Mariana,Supuran, Claudiu T.,Vydzhak, Roman M.. "New sulfanilamide derivatives incorporating heterocyclic carboxamide moieties as carbonic anhydrase inhibitors". . . Retrieved 2021/08/31.