1-(4-Fluorophenyl)-2-phenyl-4,5,6,7-tetrahydro-1h-indole

Base Information

Chemical Name:1-(4-Fluorophenyl)-2-phenyl-4,5,6,7-tetrahydro-1h-indole
CAS No.:96756-93-3
Molecular Formula:C20H18FN
Molecular Weight:291.36200
Hs Code.:
ChEMBL ID:CHEMBL3415706
DSSTox Substance ID:DTXSID50542869
Nikkaji Number:J3.150.436H
Wikidata:Q82419663

Synonyms:1-(4-fluorophenyl)-2-phenyl-4,5,6,7-tetrahydro-1h-indole;96756-93-3;CHEMBL3415706;DTXSID50542869;AKOS022142352

Suppliers and Price of 1-(4-Fluorophenyl)-2-phenyl-4,5,6,7-tetrahydro-1h-indole

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of 1-(4-Fluorophenyl)-2-phenyl-4,5,6,7-tetrahydro-1h-indole

Chemical Property:

Melting Point:129-130 °C
Boiling Point:462.8±45.0 °C(Predicted)
PSA：4.93000
Density:1.14±0.1 g/cm3(Predicted)
LogP:5.16220
XLogP3:5.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:291.142327740
Heavy Atom Count:22
Complexity:357

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC2=C(C1)C=C(N2C3=CC=C(C=C3)F)C4=CC=CC=C4

Technology Process of 1-(4-Fluorophenyl)-2-phenyl-4,5,6,7-tetrahydro-1h-indole

There total 7 articles about 1-(4-Fluorophenyl)-2-phenyl-4,5,6,7-tetrahydro-1h-indole 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: 92.0%

: 591-50-4
iodobenzene

: (1RS,2SR)-1-ethynyl-2-[(4-fluorophenyl)amino]cyclohexanol

: 96756-93-3
1-(4-fluorophenyl)-2-phenyl-4,5,6,7-tetrahydro-1H-indole

Guidance literature:: With copper(l) iodide; diethylamine; triphenylphosphine; bis(dibenzylideneacetone)-palladium⁽⁰⁾; at 25 ℃; under 760.051 Torr; Inert atmosphere; Reflux;
DOI:10.1002/ejoc.201201417

Reference yield:

: C₂₀H₂₀FNO

: 96756-93-3
1-(4-fluorophenyl)-2-phenyl-4,5,6,7-tetrahydro-1H-indole

Guidance literature:: for 8h; Schlenk technique; Inert atmosphere; Reflux;
DOI:10.1016/j.ejmech.2015.04.022

Reference yield:

: 932-03-6
1-Ethynyl-7-oxa-bicyclo[4.1.0]heptane

: 371-40-4
4-fluoroaniline

: 96756-93-3
1-(4-fluorophenyl)-2-phenyl-4,5,6,7-tetrahydro-1H-indole

Guidance literature:: Multi-step reaction with 2 steps

1: lithium perchlorate / acetonitrile / 24 h / 70 °C

2: bis(dibenzylideneacetone)-palladium⁽⁰⁾; copper(l) iodide; triphenylphosphine; diethylamine / 25 °C / 760.05 Torr / Inert atmosphere; Reflux

With copper(l) iodide; lithium perchlorate; diethylamine; triphenylphosphine; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In acetonitrile;
DOI:10.1002/ejoc.201201417