Phenyl piperidine-1-carboxylate

Base Information

• Chemical Name: Phenyl piperidine-1-carboxylate
• CAS No.: 16641-71-7
• Molecular Formula: C12H15 N O2
• Molecular Weight: 205.257
• Hs Code.: 2933399090
• European Community (EC) Number: 634-092-4
• NSC Number: 138223
• DSSTox Substance ID: DTXSID90300667
• Nikkaji Number: J604.325I
• Wikidata: Q82043923
• ChEMBL ID: CHEMBL1869856
• Mol file: 16641-71-7.mol

Synonyms:phenyl piperidine-1-carboxylate;16641-71-7;phenyl 1-piperidinecarboxylate;Piperidine-1-carboxylic acid phenyl ester;1-Piperidinecarboxylic acid, phenyl ester;MLS002920442;phenylpiperidine carboxylate;N-phenoxycarbonyl piperidine;phenylpiperidine-1-carboxylate;SCHEMBL6882525;CHEMBL1869856;DTXSID90300667;GGZDLAOKPXEJCP-UHFFFAOYSA-N;HMS1611M22;NSC138223;AKOS000594168;CCG-108602;NSC-138223;SMR000117290;CS-0328569;AQ-390/13304041;BRD-K18278825-001-05-9

Chemical Property of Phenyl piperidine-1-carboxylate

Chemical Property:

• Vapor Pressure: 0.000575mmHg at 25°C
• Boiling Point: 311.1°C at 760 mmHg
• Flash Point: 142°C
• PSA: 29.54000
• Density: 1.136g/cm³
• LogP: 2.60920
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 205.110278721
• Heavy Atom Count: 15
• Complexity: 206

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCN(CC1)C(=O)OC2=CC=CC=C2

Technology Process of Phenyl piperidine-1-carboxylate

There total 31 articles about Phenyl piperidine-1-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: 93.0%

piperidine (110-89-4) + phenyl 4,5-dichloro-6-oxopyridazine-1(6H)-carboxylate (1202680-24-7) → 1-(phenoxycarbonyl)piperidine (16641-71-7)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 0.166667h;

DOI:10.1055/s-0029-1217997

Reference yield: 81.8%

piperidine (110-89-4) + phenyl chloroformate (1885-14-9) → 1-(phenoxycarbonyl)piperidine (16641-71-7)

Guidance literature:

With sodium hydrogencarbonate; In tetrahydrofuran; water; at 20 ℃; for 2h;

DOI:10.1021/ol025829s

Reference yield: 80.0%

piperidine (110-89-4) + phenyl-α-chloroethyl-carbonate (50972-20-8) → 1-(phenoxycarbonyl)piperidine (16641-71-7)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; at 20 ℃;

DOI:10.1055/s-1986-31724

upstream raw materials:

piperidine

bis(phenyl) carbonate

phenyl-α-chloroethyl-carbonate

Trifluoro-methanesulfonate1-(tert-butyl-dimethyl-silanyloxy)-1-methyl-piperidinium;

Downstream raw materials:

p-hydoroxybenzenesulfonic acid

piperidinium hydrogen sulfate

4-(N-(phenoxycarbonyl)formamido)butanoic acid

C₁₂H₁₂N₂O₃

Refernces

• 1、 Tanwar, Dinesh Kumar,Ratan, Anjali,Gill, Manjinder Singh. "A facile synthesis of sulfonylureas: Via water assisted preparation of carbamates". . p. 4992 - 4999. Retrieved 2017/07/11.
• 2、 Song, Ji-Hyun,Lee, Jae-In,Um, Ik-Hwan. "Kinetic study on aminolysis of phenyl 2-pyridyl carbonate in acetonitrile: Effect of intramolecular h-bonding interaction on reactivity and reaction mechanism". . p. 2081 - 2085. Retrieved 2014/12/10.