Biphenyl-4-yl-piperidin-4-yl-methanone

Base Information

• Chemical Name: Biphenyl-4-yl-piperidin-4-yl-methanone
• CAS No.: 42060-83-3
• Molecular Formula: C18H19NO
• Molecular Weight: 265.35
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID80604989
• Wikidata: Q72443854
• Mol file: 42060-83-3.mol

Synonyms:42060-83-3;Biphenyl-4-yl-piperidin-4-yl-methanone;[1,1'-BIPHENYL]-4-YL(PIPERIDIN-4-YL)METHANONE;(4-phenylphenyl)-piperidin-4-ylmethanone;4-(4-phenylbenzoyl)piperidine;MFCD04115002;BIPHENYL-4-YL PIPERIDIN-4-YL METHANONE;SCHEMBL4674654;4-(4-phenylbenzoyl)-piperidine;DTXSID80604989;MEAYERISLPBAKL-UHFFFAOYSA-N;4-Biphenylyl(4-piperidyl)methanone;AKOS000164156;AB19432;biphenyl-4-yl(piperidin-4-yl)methanone;Biphneyl-4-yl-piperidin-4-yl-methanone;AS-30320;SY284679;(4-phenylphenyl)-(4-piperidinyl)methanone;(4-phenylphenyl)-piperidin-4-yl-methanone;DB-070252;CS-0159599;A825745;([1,1'-Biphenyl]-4-yl)(piperidin-4-yl)methanone

Chemical Property of Biphenyl-4-yl-piperidin-4-yl-methanone

Chemical Property:

• Vapor Pressure: 1.51E-07mmHg at 25°C
• Refractive Index: 1.572
• Boiling Point: 428.5 °C at 760 mmHg
• Flash Point: 155.5 °C
• PSA: 29.10000
• Density: 1.084 g/cm³
• LogP: 3.86470
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 265.146664230
• Heavy Atom Count: 20
• Complexity: 307

Purity/Quality:

98%min ^*data from raw suppliers

Biphenyl-4-yl-piperidin-4-yl-methanone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CNCCC1C(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Technology Process of Biphenyl-4-yl-piperidin-4-yl-methanone

There total 4 articles about Biphenyl-4-yl-piperidin-4-yl-methanone 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: 77.0%

tert-butyl 4-([1,1′-biphenyl]-4-carbonyl)piperidine-1-carboxylate → [1,1'-biphenyl]-4-yl(piperidin-4-yl)methanone (42060-83-3)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 - 20 ℃; for 2h;

DOI:10.1021/acs.jmedchem.6b01459

Reference yield:

4-(4-chlorobenzoyl)piperidine (53220-41-0) → [1,1'-biphenyl]-4-yl(piperidin-4-yl)methanone (42060-83-3)

Guidance literature:

Multi-step reaction with 3 steps

1: triethylamine / tetrahydrofuran / 2 h / 20 °C

2: caesium carbonate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tricyclohexylphosphine / toluene; 1,4-dioxane / 100 °C / Inert atmosphere; Sealed tube

3: trifluoroacetic acid / dichloromethane / 2 h / 0 - 20 °C

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; caesium carbonate; triethylamine; trifluoroacetic acid; tricyclohexylphosphine; In tetrahydrofuran; 1,4-dioxane; dichloromethane; toluene;

DOI:10.1021/acs.jmedchem.6b01459

Reference yield:

tert-butyl 4-(4-chlorobenzoyl)piperidine-1-carboxylate (209808-06-0) → [1,1'-biphenyl]-4-yl(piperidin-4-yl)methanone (42060-83-3)

Guidance literature:

Multi-step reaction with 2 steps

1: caesium carbonate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tricyclohexylphosphine / toluene; 1,4-dioxane / 100 °C / Inert atmosphere; Sealed tube

2: trifluoroacetic acid / dichloromethane / 2 h / 0 - 20 °C

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; caesium carbonate; trifluoroacetic acid; tricyclohexylphosphine; In 1,4-dioxane; dichloromethane; toluene;

DOI:10.1021/acs.jmedchem.6b01459

upstream raw materials:

tert-butyl 4-(4-chlorobenzoyl)piperidine-1-carboxylate

4-(4-chlorobenzoyl)piperidine

Downstream raw materials:

biphenyl-4-yl-[1-(2-indol-3-yl-ethyl)-piperidin-4-yl]-methanone

Refernces

• 1、 -. "Benzoylpiperidylalkylindoles". . . Retrieved 2008/06/13.