1-Acetyl-3-methylpiperidine

Base Information

• Chemical Name: 1-Acetyl-3-methylpiperidine
• CAS No.: 4593-16-2
• Molecular Formula: C8H15NO
• Molecular Weight: 141.213
• Hs Code.: 2933399090
• European Community (EC) Number: 224-983-2
• DSSTox Substance ID: DTXSID00871090
• Nikkaji Number: J265.524A
• Mol file: 4593-16-2.mol

Synonyms:1-Acetyl-3-methylpiperidine;4593-16-2;1-(3-methylpiperidin-1-yl)ethanone;1-Acetyl-3-pipecoline;Piperidine, 1-acetyl-3-methyl-;1-(3-Methyl-1-piperidinyl)-ethanone;Ethanone, 1-(3-methyl-1-piperidinyl)-;EINECS 224-983-2;SCHEMBL478665;DTXSID00871090;1-Acetyl-3-methylpiperidine, 99%;AKOS003880665;FT-0690660;F1907-2538

Chemical Property of 1-Acetyl-3-methylpiperidine

Chemical Property:

• Vapor Pressure: 0.0406mmHg at 25°C
• Melting Point: -15 °C
• Refractive Index: n20/D 1.476(lit.)
• Boiling Point: 239.2 °C at 760 mmHg
• Flash Point: 106.7 °C
• PSA: 20.31000
• Density: 0.949 g/cm³
• LogP: 1.20270
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 141.115364102
• Heavy Atom Count: 10
• Complexity: 133

Purity/Quality:

98%Min ^*data from raw suppliers

1-Acetyl-3-methylpiperidine 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1CCCN(C1)C(=O)C
• Uses: Reactant for: Regioselective amidyl radical cyclization1 Regioselective oxidation of cyclic amino compounds2 1-Acetyl-3-methylpiperidine may be employed as piperidine ligand to investigate the enzymatic activity and three-dimensional structure non-peptide ligand-cyclophilin complexes.

Technology Process of 1-Acetyl-3-methylpiperidine

There total 4 articles about 1-Acetyl-3-methylpiperidine 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: 47.0%

C14H19NOS (1039553-34-8) → 1-acetyl-3-methyl-piperidine (4593-16-2) + 1-(2,2-dimethylpyrrolidin-1-yl)ethan-1-one (1039553-82-6)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; at 80 ℃;

DOI:10.1021/jo800845b

Reference yield:

acetyl chloride (75-36-5) + 3-Methylpiperidine (626-56-2,53152-98-0) → 1-acetyl-3-methyl-piperidine (4593-16-2)

Guidance literature:

With pyridine; In chloroform; for 18h; Yield given; Heating;

DOI:10.1021/jo9720344

Reference yield:

acetic anhydride (108-24-7) + 3-Methylpiperidine (626-56-2,53152-98-0) → 1-acetyl-3-methyl-piperidine (4593-16-2)

Guidance literature:

With pyridine; Ambient temperature;

DOI:10.1002/mrc.1260290809

upstream raw materials:

acetic anhydride

3-Methylpiperidine

acetyl chloride

C₁₄H₁₉NOS

Downstream raw materials:

1-(3-methylpiperidin-1-yl)-3-phenylpropane-1,3-dione

1-ethyl-3-methyl-piperidine

Refernces

• 1、 Anderson, J. Edgar,Ijeh, Anthony I.,Storch, Christine,Casarini, Daniele,Lunazzi, Lodovico. "Eclipsed Conformation of the Exocyclic N-CH2 Bond in N-Neopentylpiperidines and the Stereodynamic Consequences As Studied by Dynamic NMR Spectroscopy and Molecular Mechanics Calculations". . p. 3310 - 3317. Retrieved 2007/10/03.