1-Butylpyrrolidin-2-one

Base Information

• Chemical Name: 1-Butylpyrrolidin-2-one
• CAS No.: 3470-98-2
• Molecular Formula: C8H15NO
• Molecular Weight: 141.213
• Hs Code.: 2933790090
• European Community (EC) Number: 222-437-8
• DSSTox Substance ID: DTXSID80188254
• Nikkaji Number: J117.008B
• Wikidata: Q72514564
• Mol file: 3470-98-2.mol

Synonyms:1-Butylpyrrolidin-2-one;3470-98-2;1-Butyl-2-pyrrolidinone;1-Butyl-2-pyrrolidone;N-Butylpyrrolidone;2-PYRROLIDINONE, 1-BUTYL-;N-Butylpyrrolidinone;1-N-Butyl-2-Pyrrolidone;BRN 0111543;N-Butyl-2-pyrrolidinone;EINECS 222-437-8;EC 222-437-8;N-Butyl-2-pyrrolidone;1-Butyl-2-Pyrrodidone;1-Butyl-2-pyrrolidione;N-n-Butyl-2-pyrrolidone;N-Butyl-2-azacyclopentanone;SCHEMBL10513;DTXSID80188254;BCP24378;MFCD00020876;AKOS006228803;AB01298;CS-W016436;AC-24510;AS-36941;LS-138650;B1254;FT-0658353;EN300-7414036;A822359;W-106712

Chemical Property of 1-Butylpyrrolidin-2-one

Chemical Property:

• Appearance/Colour: corlorless clear liquid
• Vapor Pressure: 0.0315mmHg at 25°C
• Refractive Index: 1.466
• Boiling Point: 243.8 °C at 760 mmHg
• PKA: -0.41±0.20(Predicted)
• Flash Point: 103 °C
• PSA: 20.31000
• Density: 0.961 g/cm³
• LogP: 1.34680
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: Chloroform (Slightly)
• Water Solubility.: 1000g/L at 20℃
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 141.115364102
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

99%, ^*data from raw suppliers

1-Butylpyrrolidin-2-one ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN1CCCC1=O

Technology Process of 1-Butylpyrrolidin-2-one

There total 25 articles about 1-Butylpyrrolidin-2-one 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: 98.0%

2-pyrrolidinon (616-45-5) + butyraldehyde (123-72-8) → N-n-butyl-2-pyrrolidinone (3470-98-2)

Guidance literature:

With hydrogen; sodium sulfate; palladium on activated charcoal; In ethyl acetate; at 100 ℃; for 4h; under 30002.4 Torr;

DOI:10.1016/S0040-4039(00)76894-8

Reference yield: 95.0%

2-pyrrolidinon (616-45-5) + n-butyl methanesulfonate (1912-32-9) → N-n-butyl-2-pyrrolidinone (3470-98-2)

Guidance literature:

With tetraethylammonium tosylate; In N,N-dimethyl-formamide; electroreduction;

DOI:10.1246/cl.1986.425

Reference yield: 93.0%

N-butenylpyrrolidone (117593-76-7) → N-n-butyl-2-pyrrolidinone (3470-98-2)

Guidance literature:

With oxygen; hydrazine hydrate; 7-(trifluoromethyl)-1,10-ethyleneisoalloxazinium chloride; In water; at 100 ℃; for 18h; under 760.051 Torr;

DOI:10.1039/c0cc02272a

upstream raw materials:

4-butanolide

N-butylamine

2-pyrrolidinon

1-bromo-butane

Downstream raw materials:

N-benzoyl-4-(n-butylamino)butyric acid

4-(4-bromo-2-formyl-N-butylanilino)-butyric acid

N-Butyl-N-(4-p-toluolsulfonoxybutyl)-p-toluolsulfonamid-4-d⁽²⁾

2-pyrrolidinon