N-Hexyl-2-pyrrolidinone

Base Information

• Chemical Name: N-Hexyl-2-pyrrolidinone
• CAS No.: 4838-65-7
• Molecular Formula: C₁₀H₁₉NO
• Molecular Weight: 169.267
• Hs Code.: 2933790090
• European Community (EC) Number: 610-419-6
• DSSTox Substance ID: DTXSID40197504
• Nikkaji Number: J281.995C
• Wikidata: Q72482417
• Mol file: 4838-65-7.mol

Synonyms:N-Hexyl-2-pyrrolidinone;4838-65-7;1-hexylpyrrolidin-2-one;1-Hexyl-2-pyrrolidone;2-Pyrrolidinone, 1-hexyl-;BRN 1525259;1-hexyl-pyrrolidin-2-one;SCHEMBL297237;DTXSID40197504;MFCD01310443;AKOS006277039;AB08436;AS-38852;LS-138833;CS-0172234;FT-0691073;A827526;N-HEXYL-2-PYRROLIDINONE

Chemical Property of N-Hexyl-2-pyrrolidinone

Chemical Property:

• Vapor Pressure: 0.00438mmHg at 25°C
• Melting Point: 4oC
• Refractive Index: 1.4630
• Boiling Point: 278 °C at 760 mmHg
• Flash Point: 116.2 °C
• PSA: 20.31000
• Density: 0.94 g/cm³
• LogP: 2.12700
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 169.146664230
• Heavy Atom Count: 12
• Complexity: 145

Purity/Quality:

99% ^*data from raw suppliers

1-Hexylpyrrolidin-2-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCN1CCCC1=O

Technology Process of N-Hexyl-2-pyrrolidinone

There total 5 articles about N-Hexyl-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: 96.0%

4-butanolide (96-48-0) + hexan-1-amine (111-26-2) → 1-hexylpyrrolidin-2-one (4838-65-7)

Guidance literature:

With 1-butyl-3-methylimidazolium Tetrafluoroborate; at 220 ℃; for 0.583333h; Microwave irradiation;

DOI:10.1021/jo8015264

Reference yield: 91.0%

C10H17NO (1262431-98-0) → 1-hexylpyrrolidin-2-one (4838-65-7)

Guidance literature:

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

DOI:10.1039/c0cc02272a

Reference yield:

N-trimethylsilyl-pyrrolidin-2-one (14468-90-7) + 1-bromo-hexane (111-25-1) → sodium bromide + 1-hexylpyrrolidin-2-one (4838-65-7)

Guidance literature:

With sodium methylate; In 1,2-dimethoxyethane;

upstream raw materials:

N-trimethylsilyl-pyrrolidin-2-one

1-bromo-hexane

2-pyrrolidinon

4-butanolide

Refernces

• 1、 Orrling, Kristina M.,Wu, Xiongyu,Russo, Francesco,Larhed, Mats. "Fast, acid-free, and selective lactamization of lactones in ionic liquids". supporting information; experimental part. p. 8627 - 8630. Retrieved 2009/04/11.
• 2、 -. "Process for the preparation of 1-substituted aza-cycloalkan-2-ones". . . Retrieved 2008/06/13.