trans-4'-(3,4-Difluorophenyl)-[1,1'-bi(cyclohexan)]-4-one

Base Information

• Chemical Name: trans-4'-(3,4-Difluorophenyl)-[1,1'-bi(cyclohexan)]-4-one
• CAS No.: 147622-85-3
• Molecular Formula: C18H22F2O
• Molecular Weight: 292.369
• European Community (EC) Number: 604-593-2,605-495-2
• DSSTox Substance ID: DTXSID001020942,DTXSID301035992
• Nikkaji Number: J1.797.101H
• Mol file: 147622-85-3.mol

Synonyms:147622-85-3;trans-4'-(3,4-Difluorophenyl)-[1,1'-bi(cyclohexan)]-4-one;4-[4-trans-(3,4-Diflourphenyl)-cyclohexyl]-cyclohexanon;trans-4'-(3,4-Difluorophenyl)bicyclohexyl-4-one;4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexan-1-one;167948-98-3;4'-(3,4-Difluorophenyl)bi(cyclohexan)-4-one;trans-4'-(3,4-Difluorophenyl)[1,1'-bicyclohexyl]-4-one;(1'r,4'r)-4'-(3,4-difluorophenyl)-[1,1'-bi(cyclohexane)]-4-one;SCHEMBL7775189;SCHEMBL7775191;DTXSID001020942;DTXSID301035992;MFCD26143179;MFCD30471566;AKOS027460714;DS-19161;SY056304;CS-0060076;D4911;N10775;A851978;4'-(3,4-Difluorophenyl)-1,1'-Bi(Cyclohexyl)-4-One;[1,1'-Bicyclohexyl]-4-one, 4'-(3,4-difluorophenyl)-;4'-(3,4-Difluorophenyl)-[1,1'-bi(cyclohexan)]-4-one;trans-4 inverted exclamation mark -(3,4-Difluorophenyl)-[1,1 inverted exclamation mark -bi(cyclohexan)]-4-one

Chemical Property of trans-4'-(3,4-Difluorophenyl)-[1,1'-bi(cyclohexan)]-4-one

Chemical Property:

• Appearance/Colour: White solid
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 75.0 to 79.0 °C
• Refractive Index: 1.522
• Boiling Point: 386.715 °C at 760 mmHg
• Flash Point: 147.52 °C
• PSA: 17.07000
• Density: 1.144 g/cm³
• LogP: 4.99790
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Toluene
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 292.16387165
• Heavy Atom Count: 21
• Complexity: 352

Purity/Quality:

99% ^*data from raw suppliers

trans-4''-(3,4-Difluorophenyl)-[1,1''-bi(cyclohexan)]-4-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CCC1C2CCC(=O)CC2)C3=CC(=C(C=C3)F)F

Technology Process of trans-4'-(3,4-Difluorophenyl)-[1,1'-bi(cyclohexan)]-4-one

There total 1 articles about trans-4'-(3,4-Difluorophenyl)-[1,1'-bi(cyclohexan)]-4-one 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:

→ 4-[trans-4-(3,4-difluorophenyl)cyclohexyl]cyclohexanone (147622-85-3)

Guidance literature:

Reference yield: 86.0%

4-[trans-4-(3,4-difluorophenyl)cyclohexyl]cyclohexanone (147622-85-3) → 4'-(3,4-Difluoro-phenyl)-bicyclohexyl-4-ol (157396-55-9)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 0.25h;

DOI:10.1246/cl.1997.827

Reference yield:

4-[trans-4-(3,4-difluorophenyl)cyclohexyl]cyclohexanone (147622-85-3) → 4-(3,4-Difluoro-phenyl)-4'-methoxy-bicyclohexyl

Guidance literature:

Multi-step reaction with 2 steps

1: 86 percent / LiAlH₄ / tetrahydrofuran / 0.25 h / 0 °C

2: NaH

With lithium aluminium tetrahydride; sodium hydride; In tetrahydrofuran;

DOI:10.1246/cl.1997.827

Downstream raw materials:

4'-(3,4-Difluoro-phenyl)-bicyclohexyl-4-ol