1H-Pyrrole-2-carboxaldehyde, 3-ethyl-4-methyl-

Base Information

• Chemical Name: 1H-Pyrrole-2-carboxaldehyde, 3-ethyl-4-methyl-
• CAS No.: 32928-30-6
• Molecular Formula: C8H11NO
• Molecular Weight: 137.181
• DSSTox Substance ID: DTXSID60464987
• Wikidata: Q82290602
• Mol file: 32928-30-6.mol

Synonyms:3-ethyl-4-methyl-1H-pyrrole-2-carbaldehyde;1H-Pyrrole-2-carboxaldehyde, 3-ethyl-4-methyl-;32928-30-6;SCHEMBL9539293;DTXSID60464987;AKOS006348086

Chemical Property of 1H-Pyrrole-2-carboxaldehyde, 3-ethyl-4-methyl-

Chemical Property:

• PSA: 32.86000
• LogP: 1.69800
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 137.084063974
• Heavy Atom Count: 10
• Complexity: 124

Purity/Quality:

99% ^*data from raw suppliers

3-ethyl-4-methyl-1H-Pyrrole-2-carboxaldehyde 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(NC=C1C)C=O

Technology Process of 1H-Pyrrole-2-carboxaldehyde, 3-ethyl-4-methyl-

There total 6 articles about 1H-Pyrrole-2-carboxaldehyde, 3-ethyl-4-methyl- 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: 96.76%

methyl (E)-2-cyano-3-(3-ethyl-4-methyl-2-pyrrolyl)-propenoate (113998-84-8) → 3-ethyl-2-formyl-4-methylpyrrole (32928-30-6)

Guidance literature:

With sodium hydroxide; In methanol; water; for 2h; Heating;

DOI:10.1021/jo00247a024

Reference yield: 65.0%

3-ethyl-N-methoxy-N-methyl-4-methylpyrrole-2-carboxamide (910032-52-9) → 3-ethyl-2-formyl-4-methylpyrrole (32928-30-6)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃;

DOI:10.1021/jo061043m

Reference yield:

(E)-2-Cyano-3-(3-ethyl-5-iodo-4-methyl-1H-pyrrol-2-yl)-acrylic acid methyl ester (113998-80-4,113998-81-5) → 3-ethyl-2-formyl-4-methylpyrrole (32928-30-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 97.1 percent / zinc, CH₃CO₂H / 0.33 h

2: 96.76 percent / NaOH / methanol; H₂O / 2 h / Heating

With sodium hydroxide; acetic acid; zinc; In methanol; water;

DOI:10.1021/jo00247a024

upstream raw materials:

4-ethyl-5-formyl-3-methyl-pyrrole-2-carboxylic acid

methyl (E)-2-cyano-3-(3-ethyl-4-methyl-2-pyrrolyl)-propenoate

hydrogen cyanide

3-ethyl-N-methoxy-N-methyl-4-methylpyrrole-2-carboxamide

Downstream raw materials:

ethioporphyrin I

3-(5-[5-Bromo-3-ethyl-4-methyl-pyrrol-(2Z)-ylidenemethyl]-2-{5-[1-(3,5-dimethyl-1H-pyrrol-2-yl)-meth-(Z)-ylidene]-3-ethyl-4-methyl-5H-pyrrol-2-ylmethyl}-4-methoxycarbonylmethyl-1H-pyrrol-3-yl)-propionic acid methyl ester; hydrobromide

4-ethyl-3-methyl-1H-pyrrol-2(5H)-one

3-ethyl-4-methyl-3-pyrrolin-2-one