Piperidine, 1-(2-methyl-1-oxo-2-butenyl)-

Base Information

• Chemical Name: Piperidine, 1-(2-methyl-1-oxo-2-butenyl)-
• CAS No.: 54533-29-8
• Molecular Formula: C10H17 N O
• Molecular Weight: 167.251
• European Community (EC) Number: 259-204-5
• DSSTox Substance ID: DTXSID5052204
• Mol file: 54533-29-8.mol

Synonyms:54533-29-8;Piperidine, 1-(2-methyl-1-oxo-2-butenyl)-;EINECS 259-204-5;2-methyl-1-(piperidin-1-yl)but-2-en-1-one;1-(2-Methyl-1-oxo-2-butenyl)piperidine;1-(2-Methyl-1-oxobut-2-enyl)piperidine;2-Buten-1-one, 2-methyl-1-(1-piperidinyl)-;RFD4894GVJ;UNII-RFD4894GVJ;DTXSID5052204

Chemical Property of Piperidine, 1-(2-methyl-1-oxo-2-butenyl)-

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Boiling Point: 302.3°C at 760 mmHg
• PKA: -0.73±0.20(Predicted)
• Flash Point: 135.6°C
• PSA: 20.31000
• Density: 0.974g/cm³
• LogP: 1.90300
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 167.131014166
• Heavy Atom Count: 12
• Complexity: 190

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)C(=O)N1CCCCC1

Technology Process of Piperidine, 1-(2-methyl-1-oxo-2-butenyl)-

There total 1 articles about Piperidine, 1-(2-methyl-1-oxo-2-butenyl)- 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: 26.0%

piperidine (110-89-4) + carbon monoxide (201230-82-2) + (E)-crotyl methyl carbonate (103185-13-3) → 1-(2-methyl-1-oxobut-2-enyl)piperidine (54533-29-8) + 2-Methyl-1-piperidino-3-buten-1-one (110961-74-5) + (E)-1-Piperidino-2-penten-1-one + (E)-1-(piperidin-1-yl)pent-3-en-1-one

Guidance literature:

With 1,10-Phenanthroline; dodecacarbonyl-triangulo-triruthenium; In N,N-dimethyl acetamide; at 100 ℃; for 10h; under 30400 Torr; Title compound not separated from byproducts;

DOI:10.1021/jo00104a036

upstream raw materials:

piperidine

carbon monoxide

(E)-crotyl methyl carbonate