1-Acetyl-1H-pyrrole-2-carbaldehyde

Base Information

• Chemical Name: 1-Acetyl-1H-pyrrole-2-carbaldehyde
• CAS No.: 30186-49-3
• Molecular Formula: C₇H₇NO₂
• Molecular Weight: 137.138
• DSSTox Substance ID: DTXSID90551293
• Wikidata: Q82430869
• Mol file: 30186-49-3.mol

Synonyms:1-Acetyl-1H-pyrrole-2-carbaldehyde;30186-49-3;1-ACETYLPYRROLE-2-CARBALDEHYDE;1H-Pyrrole-2-carboxaldehyde, 1-acetyl-;SCHEMBL21407436;DTXSID90551293

Chemical Property of 1-Acetyl-1H-pyrrole-2-carbaldehyde

Chemical Property:

• Boiling Point: 269.5±13.0 °C(Predicted)
• PSA: 39.07000
• Density: 1.13±0.1 g/cm3(Predicted)
• LogP: 0.96070
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 137.047678466
• Heavy Atom Count: 10
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

1-acetyl-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: CC(=O)N1C=CC=C1C=O

Technology Process of 1-Acetyl-1H-pyrrole-2-carbaldehyde

There total 3 articles about 1-Acetyl-1H-pyrrole-2-carbaldehyde 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: 90.0%

2-pyrrole aldehyde (1003-29-8,254729-95-8) + acetic anhydride (108-24-7) → 1-acetyl-1H-pyrrole-2-carbaldehyde (30186-49-3)

Guidance literature:

With triethylamine; N-ethyl-N,N-diisopropylamine; In dichloromethane; for 18h; Ambient temperature;

Reference yield: 90.0%

2-pyrrole aldehyde (1003-29-8,254729-95-8) + acetyl chloride (75-36-5) → 1-acetyl-1H-pyrrole-2-carbaldehyde (30186-49-3)

Guidance literature:

With dmap; N-ethyl-N,N-diisopropylamine; In dichloromethane; for 18h; Ambient temperature;

Reference yield:

→ 1-acetyl-1H-pyrrole-2-carbaldehyde (30186-49-3)

Guidance literature:

upstream raw materials:

2-pyrrole aldehyde

acetic anhydride

acetyl chloride