Ethyl 4-Methylpiperidine-4-carboxylate hydrochloride

Base Information

• Chemical Name: Ethyl 4-Methylpiperidine-4-carboxylate hydrochloride
• CAS No.: 225240-71-1
• Molecular Formula: C9H17NO2.HCl
• Molecular Weight: 207.7
• Hs Code.: 2933399090
• European Community (EC) Number: 858-983-4
• DSSTox Substance ID: DTXSID30598364
• Mol file: 225240-71-1.mol

Synonyms:Ethyl 4-Methylpiperidine-4-carboxylate hydrochloride;225240-71-1;ETHYL 4-METHYLPIPERIDINE-4-CARBOXYLATE HCL;ethyl 4-methylpiperidine-4-carboxylate;hydrochloride;MFCD11045418;ethyl 4-methyl-piperidine-4-carboxylate hydrochloride;Ethyl4-Methylpiperidine-4-carboxylatehydrochloride;4-Piperidinecarboxylic acid, 4-methyl-, ethyl ester, hydrochloride;SCHEMBL1282401;DTXSID30598364;ZRVPAABDZYFQFB-UHFFFAOYSA-N;AKOS015844324;AC-7654;CS-W003758;SB43747;DS-11733;SY003668;DB-012238;A4820;AM20090221;EN300-124728;Ethyl-4-methylpiperidine-4-carboxylate hydrochloride;Ethyl 4-methylpiperidine-4-carboxylate--hydrogen chloride (1/1)

Chemical Property of Ethyl 4-Methylpiperidine-4-carboxylate hydrochloride

Chemical Property:

• Vapor Pressure: 0.00991mmHg at 25°C
• Boiling Point: 259.9 °C at 760 mmHg
• Flash Point: 111 °C
• PSA: 38.33000
• LogP: 2.07000
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 207.1026065
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl4-methylpiperidine-4-carboxylatehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1(CCNCC1)C.Cl
• Uses: Ethyl 4-methylpiperidine-4-carboxylate, HCl

Technology Process of Ethyl 4-Methylpiperidine-4-carboxylate hydrochloride

There total 2 articles about Ethyl 4-Methylpiperidine-4-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: 99.0%

ethyl tert-butyl 4-methylpiperidine-1,4-dicarboxylate (189442-87-3) → ethyl 4-methylpiperidine-4-carboxylate monohydrochloride (225240-71-1)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; ethanol; at 20 ℃; for 6h;

Reference yield:

1-tert-butyl 4-ethyl piperidine-1,4-dicarboxylate (142851-03-4) → ethyl 4-methylpiperidine-4-carboxylate monohydrochloride (225240-71-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: lithium diisopropyl amide / tetrahydrofuran / 0.75 h / -78 °C

1.2: 6 h / -78 - 20 °C

2.1: hydrogenchloride / 1,4-dioxane / 0.5 h / 20 °C

With hydrogenchloride; lithium diisopropyl amide; In tetrahydrofuran; 1,4-dioxane;

Reference yield:

6-trifluoromethanesulfonyl-8-(3-cyanophenyl)-1,7-naphthyridine (524734-41-6) + ethyl 4-methylpiperidine-4-carboxylate monohydrochloride (225240-71-1) → 1-(8-(3-cyano-phenyl)-[1,7]naphthyridin-6-yl)-4-methyl-piperidine-4-carboxylic acid ethyl ester

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dimethyl sulfoxide; at 70 ℃; for 42h;

upstream raw materials:

ethyl tert-butyl 4-methylpiperidine-1,4-dicarboxylate

1-tert-butyl 4-ethyl piperidine-1,4-dicarboxylate

Downstream raw materials:

1-{5-[7-Cyclohexyl-2-(3-ethyl-ureido)-benzothiazol-5-yl]-pyrimidin-2-yl}-4-methyl-piperidine-4-carboxylic acid

ethyl 1-[5-[7-cyclohexyl-2-(ethylcarbamoylamino)-1,3-benzothiazol-5-yl]pyrimidin-2-yl]-4-methyl-piperidine-4-carboxylate

Refernces

• 1、 -. "FUSED TRICYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY". Page/Page column 114. . Retrieved 2015/06/25.
• 2、 -. "Antibacterial Compounds". Paragraph 0466. . Retrieved 2013/10/07.