4-Ethyl-2-pyrrolidinone

Base Information

• Chemical Name: 4-Ethyl-2-pyrrolidinone
• CAS No.: 41819-75-4
• Molecular Formula: C6H11NO
• Molecular Weight: 113.16
• Hs Code.: 2933790090
• European Community (EC) Number: 802-007-1
• DSSTox Substance ID: DTXSID70446299
• Nikkaji Number: J986.468G
• Mol file: 41819-75-4.mol

Synonyms:4-Ethyl-2-pyrrolidinone;41819-75-4;4-ethylpyrrolidin-2-one;4-ethyl-2-pyrrolidone;SCHEMBL1115312;DTXSID70446299;MFCD09864500;4-Ethyl-2-pyrrolidinone, AldrichCPR;AKOS006283015;AS-50654;CS-0046666;FT-0747633;EN300-105294;P10810;Z1198235318

Chemical Property of 4-Ethyl-2-pyrrolidinone

Chemical Property:

• Vapor Pressure: 0.0211mmHg at 25°C
• Boiling Point: 250.9°C at 760 mmHg
• Flash Point: 136.5°C
• PSA: 29.10000
• Density: 0.952g/cm³
• LogP: 0.86130
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 113.084063974
• Heavy Atom Count: 8
• Complexity: 101

Purity/Quality:

NLT 98% ^*data from raw suppliers

4-Ethyl-2-pyrrolidinone ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1CC(=O)NC1

Technology Process of 4-Ethyl-2-pyrrolidinone

There total 11 articles about 4-Ethyl-2-pyrrolidinone 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: 87.2%

→ 4-ethylpyrrolidin-2-one (41819-75-4)

Guidance literature:

Reference yield: 79.0%

3-cyanopentanoic acid ammonium salt → 4-ethylpyrrolidin-2-one (41819-75-4)

Guidance literature:

With ammonium hydroxide; hydrogen; nickel; In water; at 160 ℃; for 2h; under 25857.4 Torr;

DOI:10.1021/jo9804386

Reference yield:

methylamine (74-89-5) + 3-cyanopentanoic acid ammonium salt → 4-ethylpyrrolidin-2-one (41819-75-4) + 4-ethyl-1-methylpyrrolidin-2-one (199851-83-7)

Guidance literature:

With ammonium hydroxide; hydrogen; palladium on activated charcoal; at 140 ℃; for 4h; under 25857.4 Torr;

DOI:10.1021/jo9804386

upstream raw materials:

methylamine

Methyl (E)-2-pentenoate

N-but-2-enyl-2,2,2-trichloroacetamide

alpha-ethylsuccinonitrile

Refernces

• 1、 -. "Amidino derivatives useful as nitric oxide synthase inhibitors". . . Retrieved 2008/06/13.
• 2、 Gavagan, John E.,Fager, Susan K.,Fallon, Robert D.,Folsom, Patrick W.,Herkes, Frank E.,Eisenberg, Amy,Hann, Eugenia C.,DiCosimo, Robert. "Chemoenzymic Production of Lactams from Aliphatic α,ω-Dinitriles". . p. 4792 - 4801. Retrieved 2007/10/03.