4-Acetyl-1-methyl-1H-pyrrole-2-carbaldehyde

Base Information

• Chemical Name: 4-Acetyl-1-methyl-1H-pyrrole-2-carbaldehyde
• CAS No.: 75866-91-0
• Molecular Formula: C₈H₉NO₂
• Molecular Weight: 151.165
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50506522
• Wikidata: Q82362297
• Mol file: 75866-91-0.mol

Synonyms:4-ACETYL-1-METHYL-1H-PYRROLE-2-CARBALDEHYDE;75866-91-0;4-ACETYL-1-METHYLPYRROLE-2-CARBALDEHYDE;SCHEMBL5398361;DTXSID50506522;OWBXRSMVPDNIEH-UHFFFAOYSA-N;MFCD02179578;AKOS000345504;SB63621;BS-36259;CS-0117238;1-methyl-4-acetyl-1H-pyrrole-2-carbaldehyde;4-acetyl-1-methyl-1-H-pyrrole-2-carbaldehyde

Chemical Property of 4-Acetyl-1-methyl-1H-pyrrole-2-carbaldehyde

Chemical Property:

• PSA: 39.07000
• LogP: 1.04020
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 151.063328530
• Heavy Atom Count: 11
• Complexity: 179

Purity/Quality:

99% ^*data from raw suppliers

4-acetyl-1-methyl-1H-pyrrole-2-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CN(C(=C1)C=O)C

Technology Process of 4-Acetyl-1-methyl-1H-pyrrole-2-carbaldehyde

There total 2 articles about 4-Acetyl-1-methyl-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: 83.0%

N-methylpyrrole aldehyde (1192-58-1) + acetyl chloride (75-36-5) → 1-methyl-4-acetylpyrrole-2-carboxaldehyde (75866-91-0)

Guidance literature:

With aluminium trichloride; In dichloromethane; for 2h; Heating;

Reference yield: 78.0%

Dimethyl-(1-methyl-1H-pyrrol-2-ylmethylene)-ammonium; chloride (117068-08-3) + acetyl chloride (75-36-5) → 1-methyl-4-acetylpyrrole-2-carboxaldehyde (75866-91-0)

Guidance literature:

With aluminium trichloride; In 1,2-dichloro-ethane; for 2h; Ambient temperature;

Reference yield: 68.0%

Methyltriphenylphosphonium bromide (1779-49-3) + 1-methyl-4-acetylpyrrole-2-carboxaldehyde (75866-91-0) → 4-acetyl-1-methyl-2-vinylpyrrole (119580-89-1)

Guidance literature:

With sodium hydride; 1.) THF, 20 deg C, 2 h, 2.) reflux, 5 h; 20 deg C, 10 h;

upstream raw materials:

N-methylpyrrole aldehyde

acetyl chloride

Dimethyl-(1-methyl-1H-pyrrol-2-ylmethylene)-ammonium; chloride

Downstream raw materials:

4-acetyl-1-methyl-2-vinylpyrrole

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