Methyl 3-methyl-4-oxopiperidine-1-carboxylate

Base Information

• Chemical Name: Methyl 3-methyl-4-oxopiperidine-1-carboxylate
• CAS No.: 31633-72-4
• Molecular Formula: C8H13 N O3
• Molecular Weight: 171.196
• Hs Code.: 2933399090
• European Community (EC) Number: 250-740-5
• DSSTox Substance ID: DTXSID90953591
• Nikkaji Number: J278.159J
• Mol file: 31633-72-4.mol

Synonyms:Methyl 3-methyl-4-oxopiperidine-1-carboxylate;31633-72-4;3-METHYL-4-OXO-PIPERIDINE-1-CARBOXYLIC ACID METHYL ESTER;EINECS 250-740-5;MFCD09838568;methyl3-methyl-4-oxopiperidine-1-carboxylate;SCHEMBL2379075;DTXSID90953591;JWXGBLNGCIGLBH-UHFFFAOYSA-N;AC2420;AKOS006328341;SB36544;CS-12242;SY041284;CS-0316192;methyl 3-methyl-4-oxo-1-piperidinecarboxylate;3-Methyl-4-oxopiperidine-1-carboxylic acid methyl ester;racemic 3-methyl-4-oxo-piperidine-1-carboxylic acid methyl ester

Chemical Property of Methyl 3-methyl-4-oxopiperidine-1-carboxylate

Chemical Property:

• Vapor Pressure: 0.0101mmHg at 25°C
• Boiling Point: 263.7°Cat760mmHg
• PKA: -1.61±0.40(Predicted)
• Flash Point: 113.3°C
• PSA: 46.61000
• Density: 1.129g/cm³
• LogP: 0.60160
• Storage Temp.: 2-8°C
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 171.08954328
• Heavy Atom Count: 12
• Complexity: 203

Purity/Quality:

99% ^*data from raw suppliers

Methyl3-Methyl-4-oxopiperidine-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN(CCC1=O)C(=O)OC

Technology Process of Methyl 3-methyl-4-oxopiperidine-1-carboxylate

There total 3 articles about Methyl 3-methyl-4-oxopiperidine-1-carboxylate 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: 100.0%

methyl 3-methyl-3-carbomethoxy-4-oxo-1-piperidinecarboxylate (31633-71-3) → methyl 3-methyl-4-oxo-1-piperidinecarboxylate (31633-72-4)

Guidance literature:

With hydrogenchloride; In methanol; for 20h; Heating;

DOI:10.1021/jm00156a030

Reference yield:

methyl 3-carbomethoxy-4-oxo-1-piperidinecarboxylate (31633-70-2,93757-83-6) → methyl 3-methyl-4-oxo-1-piperidinecarboxylate (31633-72-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 85 percent / K₂CO₃ / acetone / 24 h / Heating

2: 100 percent / aq. HCl / methanol / 20 h / Heating

With hydrogenchloride; potassium carbonate; In methanol; acetone;

DOI:10.1021/jm00156a030

Reference yield:

→ methyl 3-methyl-4-oxo-1-piperidinecarboxylate (31633-72-4)

Guidance literature:

Dimethyl-3-methyl-4-oxo-1,3-piperidincarboxylat, Oxalsaeure;

upstream raw materials:

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

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

Downstream raw materials:

trans methyl 4-anilino-4-carbamoyl-3-pipecoline-1-carboxylate

4-anilino-4-cyano-3-methyl-piperidine-1-carboxylic acid methyl ester

(3S,4S)-trans-N-<3-Methyl-1-<2-(4-nitrophenyl)ethyl>-4-piperidyl>-N-phenylpropanamide

(3R,4R)-trans-N-<3-Methyl-1-<2-(4-nitrophenyl)ethyl>-4-piperidyl>-N-phenylpropanamide

Refernces