1-Piperidinecarboxylic acid, 2-oxo-, phenyl ester

Base Information

• Chemical Name: 1-Piperidinecarboxylic acid, 2-oxo-, phenyl ester
• CAS No.: 164732-57-4
• Molecular Formula: C12H13NO3
• Molecular Weight: 219.24
• DSSTox Substance ID: DTXSID70434530
• Nikkaji Number: J1.554.944K
• Wikidata: Q82248978
• Mol file: 164732-57-4.mol

Synonyms:164732-57-4;1-Piperidinecarboxylic acid, 2-oxo-, phenyl ester;SCHEMBL20553753;DTXSID70434530;2-Oxopiperidine-1-carboxylic acid phenyl ester

Chemical Property of 1-Piperidinecarboxylic acid, 2-oxo-, phenyl ester

Chemical Property:

• Melting Point: 114-116 °C(Solv: ligroine (8032-32-4); ethyl acetate (141-78-6))
• Boiling Point: 327.5±25.0 °C(Predicted)
• PSA: 46.61000
• Density: 1.237±0.06 g/cm3(Predicted)
• LogP: 2.13580
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 219.08954328
• Heavy Atom Count: 16
• Complexity: 271

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C(=O)C1)C(=O)OC2=CC=CC=C2

Technology Process of 1-Piperidinecarboxylic acid, 2-oxo-, phenyl ester

There total 1 articles about 1-Piperidinecarboxylic acid, 2-oxo-, phenyl ester 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: 73.0%

piperidin-2-one (675-20-7) + phenyl chloroformate (1885-14-9) → N-(phenyloxycarbonyl)piperidin-2-one (164732-57-4)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 2h;

DOI:10.1016/S0040-4020(01)00651-2

Reference yield: 95.0%

chlorophosphoric acid diphenyl ester (2524-64-3) + N-(phenyloxycarbonyl)piperidin-2-one (164732-57-4) → phenyl 6-[(diphenoxyphosphoryl)oxo]-3,4-dihydro-1(2H)-pyridinecarboxylate (370861-82-8)

Guidance literature:

With potassium hexamethylsilazane; In tetrahydrofuran; toluene; at -78 ℃; for 0.5h;

DOI:10.1039/a804198i

Reference yield: 90.0%

N-(5-chloropyridin-2-yl)-1,1,1-trifluoro-N-[(trifluoromethyl)sulphonyl]methanesulphonamide (145100-51-2) + N-(phenyloxycarbonyl)piperidin-2-one (164732-57-4) → 6-Trifluoromethanesulfonyloxy-3,4-dihydro-2H-pyridine-1-carboxylic acid phenyl ester (164732-59-6)

Guidance literature:

With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃;

DOI:10.1021/jo00114a006

upstream raw materials:

piperidin-2-one

phenyl chloroformate

Downstream raw materials:

6-Trifluoromethanesulfonyloxy-3,4-dihydro-2H-pyridine-1-carboxylic acid phenyl ester

phenyl 6-[(diphenoxyphosphoryl)oxo]-3,4-dihydro-1(2H)-pyridinecarboxylate

N-phenoxycarbonyl-5,6-dihydro-2(1H)-pyridone