(+-)-5-(Hexyloxy)-1-(phenylmethyl)-2-pyrrolidinone

Base Information

• Chemical Name: (+-)-5-(Hexyloxy)-1-(phenylmethyl)-2-pyrrolidinone
• CAS No.: 136410-32-7
• Molecular Formula: C₁₇H₂₅NO₂
• Molecular Weight: 275.391
• DSSTox Substance ID: DTXSID90929418
• Nikkaji Number: J423.553C
• Mol file: 136410-32-7.mol

Synonyms:(+-)-5-(Hexyloxy)-1-(phenylmethyl)-2-pyrrolidinone;136410-32-7;1-benzyl-5-hexoxypyrrolidin-2-one;BRN 4752654;119984-48-4;1-BENZYL-5-(HEXYLOXY)PYRROLIDIN-2-ONE;2-Pyrrolidinone, 5-(hexyloxy)-1-(phenylmethyl)-, (+-)-;1-benzyl-2-oxo-5-n-hexyloxy pyrrolidine;SCHEMBL9820785;DTXSID90929418;HUPJVMGZLNGJJK-UHFFFAOYSA-N;5-(Hexyloxy)-1-[benzyl]pyrrolidin-2-one;LS-138834

Chemical Property of (+-)-5-(Hexyloxy)-1-(phenylmethyl)-2-pyrrolidinone

Chemical Property:

• Vapor Pressure: 1.75E-07mmHg at 25°C
• Boiling Point: 426.6°C at 760 mmHg
• Flash Point: 211.8°C
• PSA: 29.54000
• Density: 1.05g/cm³
• LogP: 3.66990
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 275.188529040
• Heavy Atom Count: 20
• Complexity: 287

Purity/Quality:

(+-)-5-(HEXYLOXY)-1-(PHENYLMETHYL)-2-PYRROLIDINONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC1CCC(=O)N1CC2=CC=CC=C2

Technology Process of (+-)-5-(Hexyloxy)-1-(phenylmethyl)-2-pyrrolidinone

There total 1 articles about (+-)-5-(Hexyloxy)-1-(phenylmethyl)-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: 70.0%

benzyl bromide (100-39-0) + 5-(n-hexyloxy)-pyrrolidin-2-one (111712-09-5) → 1-benzyl-2-oxo-5-n-hexyloxy pyrrolidine (119984-48-4,136410-32-7)

Guidance literature:

With potassium hydroxide; tetrabutylammomium bromide; In tetrahydrofuran; for 2h; Ambient temperature;

DOI:10.1016/0223-5234(91)90102-S

upstream raw materials:

benzyl bromide

5-(n-hexyloxy)-pyrrolidin-2-one