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

Base Information

• Chemical Name: Methyl 1-methyl-4-oxopiperidine-3-carboxylate hydrochloride
• CAS No.: 13221-89-1
• Molecular Formula: C₈H₁₃NO₃
• Molecular Weight: 171.196
• Hs Code.: 2933399090
• European Community (EC) Number: 804-769-0
• NSC Number: 113589,82981
• Mol file: 13221-89-1.mol

Synonyms:13049-77-9;methyl 1-methyl-4-oxopiperidine-3-carboxylate hydrochloride;N-Methyl-3-carbomethoxy-4-piperidone hydrochloride;N-Methyl-3-carbomethoxy-4-piperidone HCl;Methyl 1-methyl-4-oxo-3-piperidinecarboxylate hydrochloride;XZHNOMMEHHXDTP-UHFFFAOYSA-N;NSC82981;MFCD00050661;NSC-82981;NSC113589;AKOS001476625;NSC-113589;3-Piperidinecarboxylic acid, 1-methyl-4-oxo-, methyl ester, hydrochloride (1:1);AS-15870;CS-0312903;FT-0656812;E70469;A806093;SR-01000474875;SR-01000474875-1;methyl 1-methyl-4-oxopiperidine-3-carboxylate;hydrochloride;methyl 1-methyl-4-oxopiperidine-3-carboxylate hydro-chloride

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

Chemical Property:

• Melting Point: 186 °C
• Boiling Point: 255.337 °C at 760 mmHg
• PKA: 10.66±0.20(Predicted)
• Flash Point: 108.225 °C
• PSA: 46.61000
• Density: 1.129 g/cm³
• LogP: -0.38190
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 207.0662210
• Heavy Atom Count: 13
• Complexity: 203

Purity/Quality:

99% ^*data from raw suppliers

Methyl1-methyl-4-oxopiperidine-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC(=O)C(C1)C(=O)OC.Cl

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

There total 6 articles about Methyl 1-methyl-4-oxopiperidine-3-carboxylate hydrochloride 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: 75.59%

C7H10Br2O3 + methylamine (74-89-5) → 1-methyl-4-oxo-piperidine-3-carboxylic acid methyl ester (13221-89-1,56026-45-0)

Guidance literature:

With potassium iodide; In methanol; at 35 - 45 ℃; for 7h; Time;

Reference yield: 59.6%

1-Methyl-4-piperidone (1445-73-4) + carbonic acid dimethyl ester (616-38-6) → 1-methyl-4-oxo-piperidine-3-carboxylic acid methyl ester (13221-89-1,56026-45-0)

Guidance literature:

With sodium hydride; In cyclohexane; Heating;

DOI:10.1021/jm970121i

Reference yield:

3-methyl[(3-methoxy-3-oxopropyl)methylamino]propanoate (105-71-5) → 1-methyl-4-oxo-piperidine-3-carboxylic acid methyl ester (13221-89-1,56026-45-0)

Guidance literature:

With sodium; xylene;

DOI:10.1021/jo01180a003 DOI:10.1021/ja01170a027

upstream raw materials:

3-methyl[(3-methoxy-3-oxopropyl)methylamino]propanoate

1-Methyl-4-piperidone

carbonic acid dimethyl ester

Bis(2-cyanoethyl)methylamine

Downstream raw materials:

1-benzyl-3-methoxycarbonyl-3-(2-methoxycarbonyl-ethyl)-1-methyl-4-oxo-piperidinium; chloride

1-Methyl-4-piperidone

1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylic acid

(R)-3-Benzyl-1-methyl-4-oxo-piperidine-3-carboxylic acid methyl ester

Refernces

• 1、 -. "Preparation method of mebhydrolin napadisylate". Paragraph 0023-0025; 0030-0032. . Retrieved 2019/06/30.
• 2、 Singh, Satendra,Basmadjian, Garo P.,Avor, Kwasi S.,Pouw, Buddy,Seale, Thomas W.. "Synthesis and ligand binding studies of 4'-iodobenzyl esters of tropanes and piperidines at the dopamine transporter". . p. 2474 - 2481. Retrieved 2007/10/03.