4-Methylpiperidin-2-one

Base Information

• Chemical Name: 4-Methylpiperidin-2-one
• CAS No.: 4720-64-3
• Molecular Formula: C6H11NO
• Molecular Weight: 113.159
• European Community (EC) Number: 856-887-7
• Nikkaji Number: J354.966F
• Mol file: 4720-64-3.mol

Synonyms:4-methylpiperidin-2-one;4720-64-3;MFCD13178698;4-methyl-2-piperidone;(4R)-4-Methylpiperidin-2-one;(4S)-4-methylpiperidin-2-one;4-methylpiperidone;4-methyl piperidone;4-methyl-2-oxo-piperidine;SCHEMBL316267;PTSGHGGLRADEFP-UHFFFAOYSA-N;ZB1035;AKOS006348500;SB41251;AS-50976;SY033089;CS-0052341;EN300-111410;P11592;A856131;Z1203731366;660407-22-7

Chemical Property of 4-Methylpiperidin-2-one

Chemical Property:

• Melting Point: 88-91 °C
• Boiling Point: 143-145 °C(Press: 13 Torr)
• PKA: 16?+-.0.40(Predicted)
• PSA: 32.59000
• Density: 0.951±0.06 g/cm3(Predicted)
• LogP: 0.80840
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.4
• 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

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCNC(=O)C1

Technology Process of 4-Methylpiperidin-2-one

There total 1 articles about 4-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:

2-(methylamino)-4-methyl-3,4,5,6-tetrahydropyridine (103621-57-4) → 4R-methylpiperidin-2-one (4720-64-3) + 5-Amino-3-methyl-pentanoic acid methylamide (103621-66-5) + methylamine (74-89-5)

Guidance literature:

With water-d2; Rate constant;

DOI:10.1021/ja00279a055

Reference yield:

1-Methyl-4-piperidone (1445-73-4) + 4R-methylpiperidin-2-one (4720-64-3) + 5-(4-methoxyphenoxy)indole (163258-19-3) + diethyl ether (60-29-7,927820-24-4) → 3-(1-methyl-1,2,5,6-tetrahydropyrid-4-yl)-5-(4-methoxyphenoxy)indole oxalate

Guidance literature:

With sodium methylate; oxalic acid; In methanol;

Reference yield:

4R-methylpiperidin-2-one (4720-64-3) + 3,6-difluoro-9-(oxiran-2-ylmethyl)-9H-carbazole → 1-(3-(3,6-difluoro-9H-carbazol-9-yl)-2-hydroxypropyl)-4-methylpiperidin-2-one

Guidance literature:

4R-methylpiperidin-2-one; at 20 ℃; Alkaline conditions;

3,6-difluoro-9-(oxiran-2-ylmethyl)-9H-carbazole; for 16h;

DOI:10.1016/j.bmcl.2017.12.051

upstream raw materials:

2-(methylamino)-4-methyl-3,4,5,6-tetrahydropyridine

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