1-Methylpiperidine-2,4-dione

Base Information

• Chemical Name: 1-Methylpiperidine-2,4-dione
• CAS No.: 118263-97-1
• Molecular Formula: C6H9NO2
• Molecular Weight: 127.14116
• European Community (EC) Number: 844-851-3
• DSSTox Substance ID: DTXSID501309032
• Mol file: 118263-97-1.mol

Synonyms:1-Methylpiperidine-2,4-dione;118263-97-1;1-Methyl-2,4-piperidinedione;2,4-Piperidinedione, 1-methyl-;1-Methyl-piperidine-2,4-dione;MFCD21944000;SCHEMBL1304391;FLHLLNQXQGRGBP-UHFFFAOYSA-N;DTXSID501309032;AMY20080;AKOS018071224;SB22924;AS-51586;DA-29218;SY026428;Not available;CS-0054999;EN300-155439;P13026;A856248

Chemical Property of 1-Methylpiperidine-2,4-dione

Chemical Property:

• Melting Point: 168-170℃ (water )
• Boiling Point: 240.5±23.0℃ (760 Torr)
• PKA: 12.71±0.20(Predicted)
• Flash Point: 108.5±15.0℃
• PSA: 37.38000
• Density: 1.150±0.06 g/cm3 (20 ºC 760 Torr)
• LogP: -0.25440
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 127.063328530
• Heavy Atom Count: 9
• Complexity: 153

Purity/Quality:

99%, ^*data from raw suppliers

1-Methylpiperidine-2,4-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC(=O)CC1=O

Technology Process of 1-Methylpiperidine-2,4-dione

There total 4 articles about 1-Methylpiperidine-2,4-dione 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:

ethyl 3-((3-ethoxy-3-oxopropyl)(methyl)amino)-3-oxopropanoate (851726-48-2) → N-methyl-piperidine-2,4-dione (118263-97-1)

Guidance literature:

With sodium ethanolate; In ethanol; at 5 - 25 ℃;

Reference yield:

Methyl 1-methyl-2,4-dioxopiperidine-3-carboxylate (93758-45-3) → N-methyl-piperidine-2,4-dione (118263-97-1)

Guidance literature:

With water; In acetonitrile; for 0.5h; Reflux;

Reference yield:

(2-hydroxyethyl)(methyl)amine (109-83-1) + chloroacetyl chloride (79-04-9) → N-methyl-piperidine-2,4-dione (118263-97-1)

Guidance literature:

(2-hydroxyethyl)(methyl)amine; chloroacetyl chloride; With sodium hydroxide; In dichloromethane; water;

With potassium hydroxide; at 45 ℃; for 10h;

DOI:10.1039/c5ob02378e

upstream raw materials:

Methyl 1-methyl-2,4-dioxopiperidine-3-carboxylate

ethyl 3-((3-ethoxy-3-oxopropyl)(methyl)amino)-3-oxopropanoate

(2-hydroxyethyl)(methyl)amine

chloroacetyl chloride

Downstream raw materials:

2.8-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

1-methyl-4-(p-tolylamino)-5,6-dihydropyridin-2(1H)-one

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