4-Cyclopropylpyrrolidin-2-one

Base Information

• Chemical Name: 4-Cyclopropylpyrrolidin-2-one
• CAS No.: 126822-39-7
• Molecular Formula: C₇H₁₁NO
• Molecular Weight: 125.17
• Hs Code.: 2933790090
• DSSTox Substance ID: DTXSID50561919
• Mol file: 126822-39-7.mol

Synonyms:4-Cyclopropylpyrrolidin-2-one;126822-39-7;2-Pyrrolidinone, 4-cyclopropyl-;MFCD18816888;2-Pyrrolidinone,4-cyclopropyl-(9CI);DTXSID50561919;AKOS006356622;DS-17184;SY043052;CS-0006071;EN300-121813;Y10368;A889359;J-515250;F2147-3355;Z1203816683

Chemical Property of 4-Cyclopropylpyrrolidin-2-one

Chemical Property:

• Melting Point: 101-104 °C
• Boiling Point: 290.5±9.0 °C(Predicted)
• PKA: 16.58±0.40(Predicted)
• PSA: 32.59000
• Density: 1.157±0.06 g/cm3(Predicted)
• LogP: 0.80840
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 125.084063974
• Heavy Atom Count: 9
• Complexity: 140

Purity/Quality:

97% ^*data from raw suppliers

4-Cyclopropylpyrrolidin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC1C2CC(=O)NC2

Technology Process of 4-Cyclopropylpyrrolidin-2-one

There total 2 articles about 4-Cyclopropylpyrrolidin-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: 55.0%

methyl 4-nitro-3-cyclopropylbutanoate (126822-38-6) → 3-cyclopropyl-2-pyrrolidinone (126822-39-7)

Guidance literature:

With sodium tetrahydroborate; nickel dichloride; In methanol; for 3h; Ambient temperature;

DOI:10.1021/jo00297a025

Reference yield:

methyl (E)-3-cyclopropylpropenoate (59939-11-6) → 3-cyclopropyl-2-pyrrolidinone (126822-39-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 76 percent / 1,5-diazabicyclo<4.3.0>non-5-ene / 12 h / Heating

2: 55 percent / NiCl₂*6H₂O, NaBH₄ / methanol / 3 h / Ambient temperature

With sodium tetrahydroborate; DBN; nickel dichloride; In methanol;

DOI:10.1021/jo00297a025

upstream raw materials:

methyl 4-nitro-3-cyclopropylbutanoate

methyl (E)-3-cyclopropylpropenoate

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