Ethyl 3-methylpiperidine-3-carboxylate

Base Information

• Chemical Name: Ethyl 3-methylpiperidine-3-carboxylate
• CAS No.: 170843-43-3
• Molecular Formula: C₉H₁₇NO₂
• Molecular Weight: 171.239
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID50593598
• Mol file: 170843-43-3.mol

Synonyms:ETHYL 3-METHYLPIPERIDINE-3-CARBOXYLATE;170843-43-3;Ethyl3-methylpiperidine-3-carboxylate;3-Piperidinecarboxylic acid, 3-methyl-, ethyl ester;3-Methyl-piperidine-3-carboxylic acid ethyl ester;3-Methyl-3-piperidinecarboxylic acid ethyl ester;3-methylpiperidine-3-carboxylic acid ethyl ester;SCHEMBL567321;DTXSID50593598;LNANFKKPVLUIBX-UHFFFAOYSA-N;AKOS012435914;AC-6364;Ethyl-3-methyl-3-piperidinecarboxylate;SB22006;DB-064792;3-Methyl-3-piperidinecarboxylicacidethylester;CS-0298799;A26601;F98435;EN300-5242055;J-520890

Chemical Property of Ethyl 3-methylpiperidine-3-carboxylate

Chemical Property:

• Vapor Pressure: 0.111mmHg at 25°C
• Boiling Point: 221 ºC
• PKA: 9.39±0.10(Predicted)
• Flash Point: 87 ºC
• PSA: 38.33000
• Density: 0.978
• LogP: 1.26800
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 171.125928785
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

99% ^*data from raw suppliers

Ethyl3-methylpiperidine-3-carboxylate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1(CCCNC1)C

Technology Process of Ethyl 3-methylpiperidine-3-carboxylate

There total 7 articles about Ethyl 3-methylpiperidine-3-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: 85.0%

ethyl N-t-butyloxycarbonyl-3-methylpiperidine-3-carboxylate (278789-43-8) → 3-methylpiperidine-3-carboxylic acid ethyl ester (170843-43-3,278789-72-3)

Guidance literature:

With trifluoroacetic acid;

DOI:10.1016/S0960-894X(02)00435-3

Reference yield:

ethyl 5-chloro-2-cyano-2-methylpentanoate (90797-24-3) → 3-methylpiperidine-3-carboxylic acid ethyl ester (170843-43-3,278789-72-3)

Guidance literature:

ethyl 5-chloro-2-cyano-2-methylpentanoate; With hydrogenchloride; hydrogen; platinum(IV) oxide; In ethanol; water; at 40 ℃; for 2h; under 760.051 Torr;

With triethylamine; In ethanol; at 0 - 20 ℃; for 16h;

Reference yield:

1-benzyl 3-ethyl 3-methylpiperidine-1,3-dicarboxylate (664364-60-7) → 3-methylpiperidine-3-carboxylic acid ethyl ester (170843-43-3,278789-72-3)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; at 20 ℃; for 2.5h;

upstream raw materials:

ethyl N-t-butyloxycarbonyl-3-methylpiperidine-3-carboxylate

ethyl N-(t-butyloxycarbonyl)nipecotate

Ethyl nipecotate

methyl iodide

Downstream raw materials:

(3-methylpiperidin-3-yl)methanol

1-(5-chloro-2-methyl-phenylthiocarbamoyl)-3-methyl-piperidine-3-carboxylic acid ethyl ester

Refernces

• 1、 -. "DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF". . . Retrieved 2013/03/26.
• 2、 -. "2,3-DIHYDROBENZO[l,4] DIOXIN-2-YLMETHYL DERIVATIVES AS ALPHA2C ANTAGONISTS FOR USE IN THE TREATMENT OF PERIPHERIC AND CENTRAL NERVOUS SYSTEME DISEASES". Page/Page column 71. . Retrieved 2009/03/07.