1H-Pyrrole-1-carboxylic acid, 2-formyl-, ethyl ester

Base Information

• Chemical Name: 1H-Pyrrole-1-carboxylic acid, 2-formyl-, ethyl ester
• CAS No.: 33876-87-8
• Molecular Formula: C8H9NO3
• Molecular Weight: 167.16200
• DSSTox Substance ID: DTXSID00496540
• Wikidata: Q82345484
• Mol file: 33876-87-8.mol

Synonyms:ethyl 2-formylpyrrole-1-carboxylate;33876-87-8;1H-Pyrrole-1-carboxylic acid, 2-formyl-, ethyl ester;Ethyl 2-formyl-1H-pyrrole-1-carboxylate;SCHEMBL8377839;DTXSID00496540

Chemical Property of 1H-Pyrrole-1-carboxylic acid, 2-formyl-, ethyl ester

Chemical Property:

• PSA: 48.30000
• LogP: 1.30520
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 167.058243149
• Heavy Atom Count: 12
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

2-formyl-1H-Pyrrole-1-carboxylicacidethylester 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N1C=CC=C1C=O

Technology Process of 1H-Pyrrole-1-carboxylic acid, 2-formyl-, ethyl ester

There total 2 articles about 1H-Pyrrole-1-carboxylic acid, 2-formyl-, ethyl ester 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:

ethyl 1H-pyrrole-1-carboxylate (4277-64-9) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → N-ethoxycarbonyl-2-formylpyrrole (33876-87-8)

Guidance literature:

With trichlorophosphate; und anschliessend mit wss.Natriumacetat-Loesung;

Reference yield:

→ N-ethoxycarbonyl-2-formylpyrrole (33876-87-8)

Guidance literature:

1-Ethoxycarbonylpyrrol, -Formylierung;

Reference yield: 55.0%

N-ethoxycarbonyl-2-formylpyrrole (33876-87-8) + C15H21NO4 → C20H24N2O4

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In 1,4-dioxane; at 20 ℃; for 5h; under 1520.1 Torr;

DOI:10.1002/adsc.201700790

upstream raw materials:

ethyl 1H-pyrrole-1-carboxylate

N,N-dimethyl-formamide

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