Ethyl 1-benzyl-4-oxopiperidine-3-carboxylate

Base Information

• Chemical Name: Ethyl 1-benzyl-4-oxopiperidine-3-carboxylate
• CAS No.: 41276-30-6
• Molecular Formula: C15H19NO3
• Molecular Weight: 261.321
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID10275984
• Nikkaji Number: J27.979J
• Mol file: 41276-30-6.mol

Synonyms:41276-30-6;ethyl 1-benzyl-4-oxopiperidine-3-carboxylate;1-Benzyl-3-ethoxycarbonyl-4-piperidone;1-Benzyl-3-carbethoxy-4-piperidone;1-Benzyl-3-carboethoxy-4-piperidone;Ethyl1-benzyl-4-oxopiperidine-3-carboxylate;Ethyl 1-benzyl-4-oxo-3-piperidinecarboxylate;3-Piperidinecarboxylic acid, 4-oxo-1-(phenylmethyl)-, ethyl ester;1-benzyl-4-oxo-piperidine-3-carboxylic acid ethyl ester;SCHEMBL159259;AMY903;DTXSID10275984;BP-12326B;MFCD00792540;STL136293;AKOS003259819;N-Benzyl-3-carboethoxy-4-piperidinone;BS-4788;A6845;CS-0172345;FT-0639705;EN300-23925;ethyl-1-benzyl-4-oxopiperidine-3-carboxylate;Ethyl 1-benzyl-4-oxo-3-piperidinecarboxylate #;Ethyl 4-oxo-1-(phenylmethyl)-3-piperidinecarboxylate;1-Benzyl-4-oxopiperidine-3-carboxylic acid ethyl ester;1-Benzyl-3-carbethoxy-4-piperidone hydrochloride (Salt/Mix)

Chemical Property of Ethyl 1-benzyl-4-oxopiperidine-3-carboxylate

Chemical Property:

• Boiling Point: 379.714 °C at 760 mmHg
• PKA: 10.77±0.20(Predicted)
• Flash Point: 183.445 °C
• PSA: 46.61000
• Density: 1.154 g/cm³
• LogP: 1.57860
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 261.13649347
• Heavy Atom Count: 19
• Complexity: 323

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Benzyl-3-ethoxycarbonyl-4-piperidone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1CN(CCC1=O)CC2=CC=CC=C2

Technology Process of Ethyl 1-benzyl-4-oxopiperidine-3-carboxylate

There total 8 articles about Ethyl 1-benzyl-4-oxopiperidine-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: 92.0%

ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride (1454-53-1) → C9H14O3NC6H5 (41276-30-6)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; for 1h;

Reference yield: 76.0%

ethyl 4-piperidone-3-carboxylate hydrochloride (4644-61-5) + benzyl bromide (100-39-0) → C9H14O3NC6H5 (41276-30-6)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; Reagent/catalyst;

Reference yield: 65.18%

1-phenylmethyl-4-piperidone (3612-20-2) + Diethyl carbonate (105-58-8,76619-83-5) → C9H14O3NC6H5 (41276-30-6)

Guidance literature:

1-phenylmethyl-4-piperidone; With sodium hydride; In tetrahydrofuran; at 15 ℃; for 0.5h; Inert atmosphere;

Diethyl carbonate; In tetrahydrofuran; at 70 ℃; for 1h; Inert atmosphere;

upstream raw materials:

N,N-bis(2-ethoxycarbonylethyl)benzylamine

benzylamine

ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride

4-piperidone-3-carboxylic acid ethyl ester

Downstream raw materials:

3-<(1-Benzyl-4-oxo-3-piperidyl)carbonyl>-1,3-dihydro-2H-indol-2-on

7-benzyl-2-morpholino-6,7,8,9-tetrahydropyrido<4,3-d>-1,2,4-triazolo<1,5-a>pyrimidin-5(10H)-one

7-benzyl-2-morpholino-6,7,8,9-tetrahydropyrido<4,3-d>-1,2,4-triazolo<1,5-a>pyrimidin-6(10H)-one

Ethandiyl-1-(3-benzyl-8-hydroxy-5-oxo-1,2,3,4-tetrahydro-5H-benzopyrano-<3,4-c>-9-pyridin)-2-(3-benzyl-10-hydroxy-5-oxo-1,2,3,4-tetrahydro-5H-benzopyrano-<3,4-c>-8-pyridin)

Refernces

• 1、 -. "Asymmetric synthetic method for Capromorelin chiral intermediate". Paragraph 0025-0031. . Retrieved 2019/02/25.
• 2、 -. "ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE". Paragraph 0429-0431. . Retrieved 2017/12/31.