4-(4-Fluorophenyl)-4'-pentyl-1,1'-bi(cyclohexane)

Base Information

• Chemical Name: 4-(4-Fluorophenyl)-4'-pentyl-1,1'-bi(cyclohexane)
• CAS No.: 82832-29-9
• Molecular Formula: C₂₃H₃₅F
• Molecular Weight: 330.529
• DSSTox Substance ID: DTXSID001162015
• Nikkaji Number: J2.908.169G
• Mol file: 82832-29-9.mol

Synonyms:82832-29-9;4-(4-Fluorophenyl)-4'-pentyl-1,1'-bi(cyclohexane);Benzene,1-fluoro-4-[(trans,trans)-4'-pentyl[1,1'-bicyclohexyl]-4-yl]-;4-(4-Fluorophenyl)-4-pentyl-1,1-bi(cyclohexane);1-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;SCHEMBL5350637;SCHEMBL8398931;SCHEMBL8398935;SCHEMBL8398939;SCHEMBL9345280;SCHEMBL13433684;C23H35F;DTXSID001162015;AKOS015917984;DS-19543;SY077576;CS-0160982;F16533;A922875;1-Fluoro-4-[(trans,trans)-4'-pentyl[1,1'-bicyclohexyl]-4-yl]benzene;(trans,trans)-4-(4-Fluorophenyl)-4 inverted exclamation mark -pentyl-1,1 inverted exclamation mark -bi(cyclohexane)

Chemical Property of 4-(4-Fluorophenyl)-4'-pentyl-1,1'-bi(cyclohexane)

Chemical Property:

• PSA: 0.00000
• LogP: 7.48620
• Storage Temp.: 2-8°C
• XLogP3: 9.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 330.27227928
• Heavy Atom Count: 24
• Complexity: 328

Purity/Quality:

97% ^*data from raw suppliers

4-Pentyl-4-(4-fluorophenyl)bi(cyclohexane) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)F

Technology Process of 4-(4-Fluorophenyl)-4'-pentyl-1,1'-bi(cyclohexane)

There total 6 articles about 4-(4-Fluorophenyl)-4'-pentyl-1,1'-bi(cyclohexane) 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: 40.0%

trans-4-(trans-4'-pentylcyclohexan-1'-yl)cyclohexan-1-yl p-toluenesulfonate (1060659-61-1) + 4-flourophenylmagnesium bromide (352-13-6) → C17H30 + trans-4-(4-fluorophenyl)-trans-4'-pentyl-1,1'-bi(cyclohexyl) (82832-29-9) + cis-4-(4-fluorophenyl)-trans-4'-pentyl-1,1'-bi(cyclohexyl) (82832-29-9)

Guidance literature:

4-flourophenylmagnesium bromide; With ZnI₂(tmeda); In tetrahydrofuran;

trans-4-(trans-4'-pentylcyclohexan-1'-yl)cyclohexan-1-yl p-toluenesulfonate; With iron(III) chloride; In tetrahydrofuran; at 0 - 40 ℃; optical yield given as %de;

DOI:10.1021/ol901610a

Reference yield: 40.0%

trans-4-(trans-4'-pentylcyclohexan-1'-yl)cyclohexan-1-yl p-toluenesulfonate (1060659-61-1) + 4-flourophenylmagnesium bromide (352-13-6) → C17H30 + trans-4-(4-fluorophenyl)-trans-4'-pentyl-1,1'-bi(cyclohexyl) (82832-29-9) + cis-4-(4-fluorophenyl)-trans-4'-pentyl-1,1'-bi(cyclohexyl) (82832-29-9)

Guidance literature:

4-flourophenylmagnesium bromide; With ZnI₂(tmeda); In tetrahydrofuran;

trans-4-(trans-4'-pentylcyclohexan-1'-yl)cyclohexan-1-yl p-toluenesulfonate; With iron(III) chloride; In tetrahydrofuran; at 0 - 40 ℃; optical yield given as %de;

DOI:10.1021/ol901610a

Reference yield:

4-(4-fluoro-phenyl)-4'-pentyl-bicyclohexyl-4-ol → trans-4-(4-fluorophenyl)-trans-4'-pentyl-1,1'-bi(cyclohexyl) (82832-29-9) + cis-4-(4-fluorophenyl)-trans-4'-pentyl-1,1'-bi(cyclohexyl) (82832-29-9)

Guidance literature:

With sodium tetrahydroborate; methanesulfonic acid; In dichloromethane; at -10 - 20 ℃; Title compound not separated from byproducts;

DOI:10.1002/(sici)1521-3897(200004)342:4<421::aid-prac421>3.0.co;2-1

upstream raw materials:

trans-4-(trans-4'-pentylcyclohexan-1'-yl)cyclohexan-1-yl p-toluenesulfonate

4-flourophenylmagnesium bromide

cis-4-bromo-trans-4'-pentyl-1,1'-bi(cyclohexyl)

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