3-Carbethoxy-2-piperidone

Base Information

• Chemical Name: 3-Carbethoxy-2-piperidone
• CAS No.: 3731-16-6
• Molecular Formula: C8H13NO3
• Molecular Weight: 171.196
• Hs Code.: 29337900
• European Community (EC) Number: 223-086-3
• NSC Number: 38545
• DSSTox Substance ID: DTXSID601312309
• Nikkaji Number: J205.639I
• Mol file: 3731-16-6.mol

Synonyms:3-carbethoxy-2-piperidone

Chemical Property of 3-Carbethoxy-2-piperidone

Chemical Property:

• Appearance/Colour: White to off-white crystalline powder
• Vapor Pressure: 0.000223mmHg at 25°C
• Melting Point: 80-82 °C(lit.)
• Refractive Index: 1.462
• Boiling Point: 326 °C at 760 mmHg
• PKA: 15.42±0.20(Predicted)
• Flash Point: 150.9 °C
• PSA: 55.40000
• Density: 1.118 g/cm³
• LogP: 0.40450
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 171.08954328
• Heavy Atom Count: 12
• Complexity: 191

Purity/Quality:

98% ^*data from raw suppliers

3-Carbethoxy-2-piperidone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 22-24/25-36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)C1CCCNC1=O

Technology Process of 3-Carbethoxy-2-piperidone

There total 16 articles about 3-Carbethoxy-2-piperidone 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: 88.0%

diethyl 2-(2-cyanoethyl)malonate (17216-62-5) → 3-carboethoxy-2-pyridone (3731-16-6)

Guidance literature:

With hydrogen; nickel; In ethanol; at 20 ℃; for 72h; under 3800.26 Torr;

DOI:10.1039/b103560f

Reference yield:

C17H21NO4 → 3-carboethoxy-2-pyridone (3731-16-6)

Guidance literature:

With 10 wt% Pd(OH)2 on carbon; hydrogen; In ethanol; at 20 ℃; for 24h; under 760.051 Torr;

DOI:10.1055/a-1389-1203

Reference yield:

C17H21NO4 → ethyl 1-benzyl-2-oxopiperidine-3-carboxylate + 3-carboethoxy-2-pyridone (3731-16-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; at 20 ℃; for 1h; under 760.051 Torr;

DOI:10.1055/a-1389-1203

upstream raw materials:

diethyl 2-(3-bromopropane)malonate

diethyl 2-(2-cyanoethyl)malonate

diethyl malonate

diethyl 2-formylcyclopropane-1,1-dicarboxylate

Downstream raw materials:

piperidine-2,3-dione-3-(2-methylsulfanyl-phenylhydrazone)

piperidine-2,3-dione-3-(4-methylsulfanyl-phenylhydrazone)

3-(Phenylhydrazone) of 2,3-piperidinedione

2,3-Dioxo-piperidin-3-(o-tolyl-hydrazon)

Refernces

• 1、 -. "2 - Oxygen -3 - piperidine carboxylic acid ethyl ester preparation method (by machine translation)". Paragraph 0027; 0028; 0029; 0032; 0033; 0034; 0035-0037. . Retrieved 2018/09/21.
• 2、 Guengoer, Timur,Malabre, Patrice,Teulon, Jean-Marie,Camborde, Francoise,Meignen, Joelle,et al.. "N6-Substituted Adenosine Receptor Agonists. Synthesis and Pharmacological Activity as Potent Antinociceptive Agents". . p. 4307 - 4316. Retrieved 2007/10/02.