1-(1-Ethyl-1H-pyrrol-3-yl)ethanone

Base Information

• Chemical Name: 1-(1-Ethyl-1H-pyrrol-3-yl)ethanone
• CAS No.: 128942-90-5
• Molecular Formula: C8H11NO
• Molecular Weight: 137.17904
• DSSTox Substance ID: DTXSID001295985
• Nikkaji Number: J282.637B
• Mol file: 128942-90-5.mol

Synonyms:1-(1-Ethyl-1H-pyrrol-3-yl)ethanone;128942-90-5;SCHEMBL12734309;DTXSID001295985;AKOS000343556;SB63736

Chemical Property of 1-(1-Ethyl-1H-pyrrol-3-yl)ethanone

Chemical Property:

• PSA: 22.00000
• LogP: 1.71060
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 137.084063974
• Heavy Atom Count: 10
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

1-(1-ethyl-1H-pyrrol-3-yl)-Ethanone 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN1C=CC(=C1)C(=O)C

Technology Process of 1-(1-Ethyl-1H-pyrrol-3-yl)ethanone

There total 1 articles about 1-(1-Ethyl-1H-pyrrol-3-yl)ethanone 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: 81.0%

3-acetylpyrrole (1072-82-8) + ethyl bromide (74-96-4) → 1-Ethyl-3-acetylpyrrole (128942-90-5)

Guidance literature:

With tetrabutylammomium bromide; potassium carbonate; In butanone; at 60 ℃; for 12h;

Reference yield: 83.0%

o-cyanobromobenzene (2042-37-7) + 1-Ethyl-3-acetylpyrrole (128942-90-5) → 2-(4-acetyl-1-ethylpyrrol-2-yl)benzonitrile

Guidance literature:

With PdCl(C₃H₅)(dppb); potassium acetate; In N,N-dimethyl acetamide; at 150 ℃; for 20h; regioselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1002/adsc.201300123

Reference yield: 82.0%

o-trifluoromethylphenyl bromide (392-83-6) + 1-Ethyl-3-acetylpyrrole (128942-90-5) → 1-[1-ethyl-5-(2-trifluoromethylphenyl)pyrrol-3-yl]ethanone

Guidance literature:

With PdCl(C₃H₅)(dppb); potassium acetate; In N,N-dimethyl acetamide; at 150 ℃; for 20h; regioselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1002/adsc.201300123

upstream raw materials:

3-acetylpyrrole

ethyl bromide

Downstream raw materials:

1-Ethyl-3-chloroacetylpyrrole