1-Benzoyl-4-(1H-indol-3-yl)piperidine

Base Information

• Chemical Name: 1-Benzoyl-4-(1H-indol-3-yl)piperidine
• CAS No.: 56361-85-4
• Molecular Formula: C20H20N2O
• Molecular Weight: 304.392
• European Community (EC) Number: 260-131-6
• UNII: 7GNS9BQW2A
• DSSTox Substance ID: DTXSID70204917
• Nikkaji Number: J296.650F
• Wikidata: Q72440309
• ChEMBL ID: CHEMBL3617908
• Mol file: 56361-85-4.mol

Synonyms:1-Benzoyl-4-(1H-indol-3-yl)piperidine;56361-85-4;[4-(1H-indol-3-yl)piperidin-1-yl]-phenylmethanone;EINECS 260-131-6;7GNS9BQW2A;UNII-7GNS9BQW2A;CHEMBL3617908;SCHEMBL16801703;DTXSID70204917;AKOS005064564;3-(1-Benzoyl-4-piperidinyl)-1H-indole;(4-(1H-INDOL-3-YL)-1-PIPERIDINYL)PHENYLMETHANONE;METHANONE, (4-(1H-INDOL-3-YL)-1-PIPERIDINYL)PHENYL-

Chemical Property of 1-Benzoyl-4-(1H-indol-3-yl)piperidine

Chemical Property:

• Vapor Pressure: 1.81E-11mmHg at 25°C
• Melting Point: 220-222 °C
• Refractive Index: 1.662
• Boiling Point: 533.7 °C at 760 mmHg
• PKA: 17.06±0.30(Predicted)
• Flash Point: 276.6 °C
• Density: 1.211 g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 304.157563266
• Heavy Atom Count: 23
• Complexity: 410

Purity/Quality:

99% ^*data from raw suppliers

1-BENZOYL-4-(1H-INDOL-3-YL)PIPERIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1C2=CNC3=CC=CC=C32)C(=O)C4=CC=CC=C4

Technology Process of 1-Benzoyl-4-(1H-indol-3-yl)piperidine

There total 9 articles about 1-Benzoyl-4-(1H-indol-3-yl)piperidine 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: 55.0%

benzoyl chloride (98-88-4) + 3-(4-piperidinyl)-1H-indole (17403-09-7) → (4-(1H-indol-3-yl)piperidin-1-yl)(phenyl)methanone (56361-85-4)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; water; at 20 ℃; for 0.166667h;

DOI:10.1016/j.ejmech.2015.07.047

Reference yield:

1-benzoyl-4-indol-3-yl-1,4-dihydro-pyridine (27058-18-0) → (4-(1H-indol-3-yl)piperidin-1-yl)(phenyl)methanone (56361-85-4)

Guidance literature:

With hydrogen; platinum(IV) oxide; In ethanol; for 42h; Ambient temperature;

DOI:10.1248/cpb.34.1907

Reference yield:

pyridine (110-86-1) → (4-(1H-indol-3-yl)piperidin-1-yl)(phenyl)methanone (56361-85-4)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 168 h / Ambient temperature

2: hydrogen / PtO₂ / ethanol / 42 h / Ambient temperature

With hydrogen; platinum(IV) oxide; In pyridine; ethanol;

DOI:10.1248/cpb.34.1907

upstream raw materials:

1-benzoyl-4-indol-3-yl-1,4-dihydro-pyridine

pyridine

indole

benzoyl chloride

Refernces

• 1、 Takai,Obase,Teranishi. "Synthesis of piperidine derivatives with a quinazoline ring system as potential antihypertensive agent". . p. 1907 - 1916. Retrieved 2007/10/02.