3-Methylpiperidin-2-one

Base Information

• Chemical Name: 3-Methylpiperidin-2-one
• CAS No.: 3768-43-2
• Molecular Formula: C₆H₁₁NO
• Molecular Weight: 113.159
• Hs Code.: 2933790090
• European Community (EC) Number: 223-196-1
• DSSTox Substance ID: DTXSID70871042
• Nikkaji Number: J217.663G
• ChEMBL ID: CHEMBL342795
• Mol file: 3768-43-2.mol

Synonyms:3-Methylpiperidin-2-one;3768-43-2;2-Methyl-5-pentanelactam;3-methyl-2-piperidinone;2-Piperidinone, 3-methyl-;EINECS 223-196-1;3-methyl-2-piperidone;methylvalerolactim;3-methylpiperidone;3-Methyl-2-oxopiperidine;2-?piperidinone, 3-?methyl-;CHEMBL342795;SCHEMBL1115487;DTXSID70871042;MFCD00177941;AKOS006230438;SB22026;BS-12937;CS-0186670;FT-0725592;EN300-119176;P10093;A874029;J-512921;Z1013766916

Chemical Property of 3-Methylpiperidin-2-one

Chemical Property:

• Vapor Pressure: 0.0177mmHg at 25°C
• Melting Point: 64-65
• Refractive Index: 1.4580 (estimate)
• Boiling Point: 254°Cat760mmHg
• Flash Point: 138.6°C
• PSA: 29.10000
• Density: 0.951g/cm³
• LogP: 0.86130
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 113.084063974
• Heavy Atom Count: 8
• Complexity: 101

Purity/Quality:

97% ^*data from raw suppliers

3-methylpiperidin-2-one ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCNC1=O

Technology Process of 3-Methylpiperidin-2-one

There total 24 articles about 3-Methylpiperidin-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: 94.0%

methyl 5-amino-2-methylpentanoate hydrochloride → 3-methyl-piperidin-2-one (3768-43-2,1229603-64-8)

Guidance literature:

With potassium carbonate; In methanol; for 24h;

DOI:10.1055/s-2006-939726

Reference yield: 70.0%

5-Azido-2-methyl-pentanoic acid ethyl ester (113789-89-2) → 3-methyl-piperidin-2-one (3768-43-2,1229603-64-8)

Guidance literature:

With water; triphenylphosphine; In tetrahydrofuran; for 12h; Ambient temperature;

DOI:10.1016/S0040-4020(01)81492-7

Reference yield: 40.0%

(S)-4-isopropyl-3-(3-methylpyridin-2-yl)oxazolidin-2-one → 3-methyl-piperidin-2-one (3768-43-2,1229603-64-8)

Guidance literature:

With hydrogenchloride; palladium on activated carbon; water; hydrogen; In tetrahydrofuran; at 40 ℃; for 24h; under 37503.8 Torr; enantioselective reaction; Autoclave;

DOI:10.1002/anie.202016771

upstream raw materials:

3-pyridinecarboxylic acid ethyl ester

5-amino-2-methyl-valeric acid

5-Azido-2-methyl-pentanoic acid ethyl ester

3-Methylpiperidine

Downstream raw materials:

3,3-Dimethyl-2(1H)-piperidinone

3-methyl-1-(phenylmethyl)-2-piperidinone

1,3-dimethyl-2-piperidinone

caprolactam