Ethyl 4-oxopiperidin-1-ium-3-carboxylate;chloride

Base Information

• Chemical Name: Ethyl 4-oxopiperidin-1-ium-3-carboxylate;chloride
• CAS No.: 4644-61-5
• Molecular Formula: C8H14ClNO3
• Molecular Weight: 207.657
• Hs Code.: 29333990
• Mol file: 4644-61-5.mol

Synonyms:

Chemical Property of Ethyl 4-oxopiperidin-1-ium-3-carboxylate;chloride

Chemical Property:

• Appearance/Colour: white to yellow crystalline powder
• Vapor Pressure: 0.00912mmHg at 25°C
• Melting Point: 169-175 °C
• Boiling Point: 265.5 °C at 760 mmHg
• Flash Point: 114.4 °C
• PSA: 55.40000
• LogP: 0.85890
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Water Solubility.: Soluble in water
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 207.0662210
• Heavy Atom Count: 13
• Complexity: 191

Purity/Quality:

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

Ethyl 4-piperidone-3-carboxylate, HCl ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1C[NH2+]CCC1=O.[Cl-]
• Uses: Ethyl 4-piperidone-3-carboxylate, HCl

Technology Process of Ethyl 4-oxopiperidin-1-ium-3-carboxylate;chloride

There total 2 articles about Ethyl 4-oxopiperidin-1-ium-3-carboxylate;chloride 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 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride (1454-53-1) → ethyl 4-piperidone-3-carboxylate hydrochloride (4644-61-5)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; water; for 24h; under 2280 Torr; Ambient temperature;

DOI:10.1016/S0040-4020(01)80773-0

Reference yield: 95.0%

C9H14O3NC6H5 (41276-30-6) → ethyl 4-piperidone-3-carboxylate hydrochloride (4644-61-5)

Guidance literature:

With hydrogenchloride; palladium 10% on activated carbon; hydrogen; In ethanol; at 40 ℃; for 8h; under 3800.26 Torr;

DOI:10.1016/j.bmc.2015.05.059

Reference yield: 99.1%

ethyl 4-piperidone-3-carboxylate hydrochloride (4644-61-5) + phenyl chloroformate (1885-14-9) → 3-ethyl 1-phenyl 4-oxopiperidine-1,3-dicarboxylate

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 - 20 ℃; for 1h;

DOI:10.1002/ardp.201800110

upstream raw materials:

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

C₉H₁₄O₃NC₆H₅

Downstream raw materials:

ethyl 1-benzoyl-4-oxopiperidine-3-carboxylate

(2S,4S)-2-[(4-oxo-3-ethoxycarbonylpiperidinyl)carbonyl]-4-tritylthio-1-(allyloxycarbonyl)pyrrolidine

1-((2S,4S)-1-Allyloxycarbonyl-4-tritylsulfanyl-pyrrolidine-2-carbonyl)-4-hydroxy-piperidine-3-carboxylic acid ethyl ester

1-((2S,4S)-1-Allyloxycarbonyl-4-tritylsulfanyl-pyrrolidine-2-carbonyl)-4-[(Z)-methoxyimino]-piperidine-3-carboxylic acid ethyl ester

Refernces

• 1、 Zhang, Dajun,Yan, Yan,Jin, Ge,Liu, Bo,Ma, Xiaoliang,Han, Dan,Jia, Xiaojian. "Synthesis and antitumor evaluation of novel 4-anilino-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate derivatives as potential EGFR inhibitors". . . Retrieved 2018/09/10.
• 2、 Zhang, Yong,Zhang, Kai,Zhao, Meng,Zhang, Lixia,Qin, Mingze,Guo, Shuchun,Zhao, Yanfang,Gong, Ping. "Discovery of a novel class anti-proliferative agents and potential inhibitors of EGFR tyrosine kinases based on 4-anilinotetrahydropyrido[4,3-d]pyrimidine scaffold: Design, synthesis and biological evaluations". . p. 4591 - 4607. Retrieved 2015/08/03.