4-Isobutyl-2-pyrrolidinone

Base Information

• Chemical Name: 4-Isobutyl-2-pyrrolidinone
• CAS No.: 61312-87-6
• Molecular Formula: C8H15NO
• Molecular Weight: 141.213
• Hs Code.: 2933790090
• Mol file: 61312-87-6.mol

Synonyms:4-(2-Methylpropyl)-2-pyrrolidinone;4-Isobutyl-2-pyrrolidinone

Chemical Property of 4-Isobutyl-2-pyrrolidinone

Chemical Property:

• Vapor Pressure: 0.007mmHg at 25°C
• Refractive Index: 1.445
• Boiling Point: 269.066°C at 760 mmHg
• PKA: 16.66±0.40(Predicted)
• Flash Point: 152.254°C
• PSA: 29.10000
• Density: 0.928g/cm³
• LogP: 1.49740
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Isobutyl-2-pyrrolidinone(pregabalinlactamimpurity) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Impurity in commercial preparation of Pregabalin. Pregabalin intermediate Pregabalin (P704800)

Technology Process of 4-Isobutyl-2-pyrrolidinone

There total 35 articles about 4-Isobutyl-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: 97.0%

4-isobutyl-1-(1-methyl-1-phenyl-ethyl)-pyrrolidin-2-one (769961-84-4) → 4-(2-methylpropyl)pyrrolidin-2-one (61312-87-6)

Guidance literature:

With trifluoroacetic acid; for 2h; Heating;

DOI:10.1055/s-2004-829568

Reference yield: 96.0%

3-nitromethyl-5-methyl-hexanoic acid ethyl ester (128013-65-0) → 4-(2-methylpropyl)pyrrolidin-2-one (61312-87-6)

Guidance literature:

With methanol; sodium tetrahydroborate; nickel(II) chloride hexahydrate; at 40 - 45 ℃; for 12h; Reagent/catalyst; Temperature; Time;

Reference yield: 92.0%

(3R)‐3‐(carbamoylmethyl)‐5‐methylhexanoic acid (181289-33-8) → 4-(2-methylpropyl)pyrrolidin-2-one (61312-87-6)

Guidance literature:

at 200 ℃; for 0.166667h;

upstream raw materials:

4-isobutyl-1-(1-methyl-1-phenyl-ethyl)-pyrrolidin-2-one

1-benzyl-4-isobutyl-1,5-dihydropyrrol-2-one

(2-methylpropyl)-propanedioic acid, diethyl ester

t-butyl 4-(2-methylpropyl)-2-oxo-3-pyrrolin-1-carboxylate

Downstream raw materials:

(R,S)-3-iso-butyl-4-aminobutyric acid

pregabilin

(R)-(+)-4-isobutyl-2-pyrrolidinone

(S)-4-isobutyl-pyrrolidin-2-one

Refernces

• 1、 Fuchs, Christine S.,Farnberger, Judith E.,Steinkellner, Georg,Sattler, Johann H.,Pickl, Mathias,Simon, Robert C.,Zepeck, Ferdinand,Gruber, Karl,Kroutil, Wolfgang. "Asymmetric Amination of α-Chiral Aliphatic Aldehydes via Dynamic Kinetic Resolution to Access Stereocomplementary Brivaracetam and Pregabalin Precursors". supporting information. p. 768 - 778. Retrieved 2017/12/27.
• 2、 -. "Method for preparing pregabalin intermediate". Paragraph 0006; 0021-0023. . Retrieved 2018/03/01.