3-Phenylpiperidine

Base Information

• Chemical Name: 3-Phenylpiperidine
• CAS No.: 3973-62-4
• Molecular Formula: C11H15N
• Molecular Weight: 161.247
• Hs Code.: 2933399090
• European Community (EC) Number: 223-602-7
• DSSTox Substance ID: DTXSID30871048
• Nikkaji Number: J217.805B
• ChEMBL ID: CHEMBL1196278
• Mol file: 3973-62-4.mol

Synonyms:3-Phenylpiperidine;3973-62-4;3-Phenyl-piperidine;Piperidine, 3-phenyl-;3-phenyl piperidine;MFCD00804860;EINECS 223-602-7;CHEMBL556366;ChemDiv2_003191;3-phenylpiperdine;SCHEMBL4280;3-Phenylpiperidine, AldrichCPR;CHEMBL1196278;DTXSID30871048;HMS1378B01;AM9903;BBL022429;BDBM50212380;STK352578;AKOS000300296;AKOS016343928;AB07314;AB16326;AB16327;CS-W009367;FS-1609;s12011;DISODIUMHYDROGENCITRATESESQUIHYDRATE;BB 0253507;FT-0635087;FT-0655157;FT-0694664;P2006;EN300-106748;A824714;J-513061;F8883-6658

Chemical Property of 3-Phenylpiperidine

Chemical Property:

• Vapor Pressure: 0.0237mmHg at 25°C
• Melting Point: 142-143℃
• Refractive Index: 1.5256
• Boiling Point: 263.183 °C at 760 mmHg
• PKA: 10.01±0.10(Predicted)
• Flash Point: 115.488 °C
• PSA: 12.03000
• Density: 0.967 g/cm³
• LogP: 2.48240
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 161.120449483
• Heavy Atom Count: 12
• Complexity: 127

Purity/Quality:

98% ^*data from raw suppliers

3-Phenylpiperidine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CNC1)C2=CC=CC=C2

Technology Process of 3-Phenylpiperidine

There total 34 articles about 3-Phenylpiperidine 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: 98.0%

3-phenylpyridine (1008-88-4) → 3-phenylpiperidine (3973-62-4)

Guidance literature:

With hydrogen; In water; at 140 ℃; for 24h; under 45004.5 Torr; chemoselective reaction; Autoclave;

DOI:10.1002/anie.201803426

Reference yield: 89.3%

N-benzyl-3-phenylpiperidine (3979-67-7) → 3-phenylpiperidine (3973-62-4)

Guidance literature:

With 18 % Pd/C; hydrogen; acetic acid; In ethanol; at 60 ℃; for 12h; under 760.051 Torr;

Reference yield: 76.0%

3-phenyl-1-p-toluenesulfonylpiperidine (906360-21-2) → 3-phenylpiperidine (3973-62-4)

Guidance literature:

With magnesium; In methanol; at 25 ℃; for 3h;

DOI:10.1021/acs.orglett.1c02035

upstream raw materials:

3-phenylpyridine

5-phenylpiperidin-2-one

1,4-dioxane

γ-cyano-γ-phenylpimelonitrile

Downstream raw materials:

1-propyl-3-phenyl-piperidine

1-[4-(3-phenylpiperidin-1-yl)butyl]-1,3-dihydro-2H-indol-2-one

C₂₂H₃₀N₂O

C₃₆H₃₈N₈

Refernces

• 1、 Engl, Sebastian,Reiser, Oliver. "Catalyst-Free Visible-Light-Mediated Iodoamination of Olefins and Synthetic Applications". supporting information. p. 5581 - 5586. Retrieved 2021/07/26.
• 2、 Feng, Xuanyu,Song, Yang,Chen, Justin S.,Li, Zhe,Chen, Emily Y.,Kaufmann, Michael,Wang, Cheng,Lin, Wenbin. "Cobalt-bridged secondary building units in a titanium metal-organic framework catalyze cascade reduction of N-heteroarenes". . p. 2193 - 2198. Retrieved 2019/02/20.