5-(Propan-2-yl)pyrrolidin-2-one

Base Information

• Chemical Name: 5-(Propan-2-yl)pyrrolidin-2-one
• CAS No.: 81659-64-5
• Molecular Formula: C7H13NO
• Molecular Weight: 127.18
• European Community (EC) Number: 830-942-5,898-405-8
• Nikkaji Number: J693.545A
• Mol file: 81659-64-5.mol

Synonyms:81659-64-5;5-(propan-2-yl)pyrrolidin-2-one;5-Isopropylpyrrolidin-2-one;(R)-5-Isopropyl-pyrrolidin-2-one;5-Isopropyl-pyrrolidin-2-one;5-propan-2-ylpyrrolidin-2-one;63328-12-1;(S)-5-Isopropyl-pyrrolidin-2-one;MFCD19220105;(r,s)-5-isopropyl-pyrrolidin-2-one;(5R)-5-(1-Methylethyl)-2-pyrrolidinone;(5S)-5-(1-Methylethyl)-2-pyrrolidinone;2-Pyrrolidinone, 5-(1-methylethyl)-;5-Isopropyl-2-pyrrolidinone;SCHEMBL367376;SCHEMBL10077980;(S)-5-Isopropyl-2-pyrrolidinone;MFCD11502814;MFCD19227514;AKOS006351329;SB33315;SB38042;SB38864;SY291824;SY292138;CS-0046650;D72845;EN300-155277

Chemical Property of 5-(Propan-2-yl)pyrrolidin-2-one

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 127.099714038
• Heavy Atom Count: 9
• Complexity: 120

Purity/Quality:

97% ^*data from raw suppliers

5-(propan-2-yl)pyrrolidin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C1CCC(=O)N1

Technology Process of 5-(Propan-2-yl)pyrrolidin-2-one

There total 17 articles about 5-(Propan-2-yl)pyrrolidin-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: 91.0%

4-amino-5-methylhexanoic acid (74924-02-0) → γ-isopropylbutyrolactam (81659-64-5)

Guidance literature:

at 164 - 165 ℃; for 0.133333h;

Reference yield: 87.0%

N-(4-methylpent-1-en-3-yl)formamide (1431851-06-7) → γ-isopropylbutyrolactam (81659-64-5)

Guidance literature:

With dodecacarbonyl-triangulo-triruthenium; carbon monoxide; tetra-(n-butyl)ammonium iodide; In N,N-dimethyl-formamide; at 150 ℃; for 4h; Reagent/catalyst; Autoclave;

DOI:10.1021/ja4026787

Reference yield: 78.0%

methyl 3-(4,4-dimethyl-5-keto-3-isoxazole)-propionate (81659-66-7) → γ-isopropylbutyrolactam (81659-64-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 4h;

upstream raw materials:

5-Methyl-4-phenylazo-hexanoic acid methyl ester

4-amino-5-methylhexanoic acid

2-hydroxy-5-isopropylidene-Δ¹-pyrroline

3-(4,4-dimethyl-5-keto-3-isoxzazole)propionamide

Downstream raw materials:

5-isopropyl-2-pyrrolidinone