Dimethyl 3-methyl-4-oxopiperidine-1,3-dicarboxylate

Base Information

• Chemical Name: Dimethyl 3-methyl-4-oxopiperidine-1,3-dicarboxylate
• CAS No.: 31633-71-3
• Molecular Formula: C10H15 N O5
• Molecular Weight: 229.233
• Hs Code.: 2933399090
• European Community (EC) Number: 250-738-4
• UNII: 8GYM8AP2FW
• DSSTox Substance ID: DTXSID30953590
• Nikkaji Number: J278.158A
• Mol file: 31633-71-3.mol

Synonyms:Dimethyl 3-methyl-4-oxopiperidine-1,3-dicarboxylate;31633-71-3;3-Methyl-4-oxo-piperidine-1,3-dicarboxylic acid dimethyl ester;EINECS 250-738-4;SCHEMBL9269091;DTXSID30953590;HAZRPOJOJSFKAP-UHFFFAOYSA-N;AC5876;MFCD09842872;SB36543;SY042550;1,3-dicarbomethoxy-3-methyl-4-piperidone;FT-0751618;Dimethyl3-methyl-4-oxopiperidine-1,3-dicarboxylate;3-Methyl-4-oxopiperidine-1,3-dicarboxylic acid dimethyl ester

Chemical Property of Dimethyl 3-methyl-4-oxopiperidine-1,3-dicarboxylate

Chemical Property:

• Vapor Pressure: 0.000305mmHg at 25°C
• Boiling Point: 321.1°Cat760mmHg
• Flash Point: 148°C
• PSA: 72.91000
• Density: 1.221g/cm³
• LogP: 0.14480
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 229.09502258
• Heavy Atom Count: 16
• Complexity: 327

Purity/Quality:

99% ^*data from raw suppliers

3-Methyl-4-oxo-piperidine-1,3-dicarboxylicaciddimethylester 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CN(CCC1=O)C(=O)OC)C(=O)OC

Technology Process of Dimethyl 3-methyl-4-oxopiperidine-1,3-dicarboxylate

There total 3 articles about Dimethyl 3-methyl-4-oxopiperidine-1,3-dicarboxylate 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: 85.0%

methyl 3-carbomethoxy-4-oxo-1-piperidinecarboxylate (31633-70-2,93757-83-6) + methyl iodide (74-88-4) → methyl 3-methyl-3-carbomethoxy-4-oxo-1-piperidinecarboxylate (31633-71-3)

Guidance literature:

With potassium carbonate; In acetone; for 24h; Heating;

DOI:10.1021/jm00156a030

Reference yield:

methyl 4-oxo-3-piperidinecarboxylate hydrochloride (71486-53-8) → methyl 3-methyl-3-carbomethoxy-4-oxo-1-piperidinecarboxylate (31633-71-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / aq. NaHCO₃ / diethyl ether / 0.5 h

2: 85 percent / K₂CO₃ / acetone / 24 h / Heating

With sodium hydrogencarbonate; potassium carbonate; In diethyl ether; acetone;

DOI:10.1021/jm00156a030

Reference yield:

→ methyl 3-methyl-3-carbomethoxy-4-oxo-1-piperidinecarboxylate (31633-71-3)

Guidance literature:

Dimethyl-4-oxo-1,3-piperidindicarboxylat, MeI/NaH;

upstream raw materials:

methyl 3-carbomethoxy-4-oxo-1-piperidinecarboxylate

methyl iodide

methyl 4-oxo-3-piperidinecarboxylate hydrochloride

Downstream raw materials:

methyl 3-methyl-4-oxo-1-piperidinecarboxylate

Refernces