trans,trans-4'-Propyl-4-(3,4,5-trifluorophenyl)bicyclohexyl

Base Information

• Chemical Name: trans,trans-4'-Propyl-4-(3,4,5-trifluorophenyl)bicyclohexyl
• CAS No.: 131819-23-3
• Molecular Formula: C₂₁H₂₉F₃
• Molecular Weight: 338.456
• Hs Code.: 29039990
• European Community (EC) Number: 603-522-2
• DSSTox Substance ID: DTXSID00694903
• Nikkaji Number: J674.479F,J683.740I
• Mol file: 131819-23-3.mol

Synonyms:131819-23-3;trans,trans-4'-Propyl-4-(3,4,5-trifluorophenyl)bicyclohexyl;TRANS-4-(3,4,5-TRIFLUOROPHENYL)-TRANS-4'-PROPYLBICYCLOHEXANE;1,2,3-trifluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;BENZENE, 1,2,3-TRIFLUORO-5-[(TRANS,TRANS)-4'-PROPYL[1,1'-BICYCLOHEXYL]-4-YL]-;MFCD09838998;trans,trans-1-(4'-Propylbicyclohexyl)-3,4,5-Trifluorobenzene;1,2,3-Trifluoro-5-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]benzene;1,2,3-Trifluoro-4-[(trans,trans)-4-propyl[1,1-bicyclohexyl]-4-yl]benzene;SCHEMBL2884363;SCHEMBL3437358;SCHEMBL7569241;SCHEMBL8027582;SCHEMBL8737129;SCHEMBL14274422;DTXSID00694903;TRANS-4-N-PROPYL-4'-(3,4,5-TRIFLUOROPHENYL)BICYCLOHEXYL;1,2,3-Trifluoro-5-[(trans,trans)-4-propyl[1,1-bicyclohexyl]-4-yl]benzene;AKOS015918108;AKOS030228240;CS-W011910;DS-9102;SY053419;FT-0747123;P2314;W16918;J-525012;1,2,3-trifluoro-5-(4'-propyl[1,1'-bicyclohexyl]-4-yl)benzene;trans,trans-4'-Propyl-4-(3,4,5-trifluorophenyl)bicyclohexyl, >/=98%;(1s,1'r,4r,4'r)-4-Propyl-4'-(3,4,5-trifluorophenyl)-1,1'-bi(cyclohexyl);1,2,3-Trifluoro-5-[(trans,trans)-4/'-propyl[1,1/'-bicyclohexyl]-4-yl]benzene;(trans,trans)-4-Propyl-4 inverted exclamation mark -(3,4,5-trifluorophenyl)-1,1 inverted exclamation mark -bi(cyclohexane)

Chemical Property of trans,trans-4'-Propyl-4-(3,4,5-trifluorophenyl)bicyclohexyl

Chemical Property:

• Vapor Pressure: 0-0Pa at 20-25℃
• Melting Point: 63-64℃
• Boiling Point: 381.167 ºC at 760 mmHg
• Flash Point: 212.912 ºC
• PSA: 0.00000
• Density: 1.066 g/cm³
• LogP: 6.98420
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: It is soluble in water.
• XLogP3: 8.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 338.22213541
• Heavy Atom Count: 24
• Complexity: 357

Purity/Quality:

99% ^*data from raw suppliers

trans,trans-4''-Propyl-4-(3,4,5-trifluorophenyl)bicyclohexyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C(=C3)F)F)F
• Uses: trans-4-n-Propyl-4'-(3,4,5-trifluorophenyl)bicyclohexyl is used to make PDLC mixtures and Switchable Film . It is also mainly used as a liquid crystal monomer, liquid crystal material.

Technology Process of trans,trans-4'-Propyl-4-(3,4,5-trifluorophenyl)bicyclohexyl

There total 2 articles about trans,trans-4'-Propyl-4-(3,4,5-trifluorophenyl)bicyclohexyl 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-n-propylcyclohexyl)cyclohexanone (82832-73-3) + 3,4,5-trifluoro-1-bromobenzene (138526-69-9) → 1-[trans-4-(trans-4-propylcyclohexyl)-cyclohexyl]-3,4,5-trifluorobenzene (131819-23-3)

Guidance literature:

Reference yield:

cis-4-(trans-4-Propylcyclohexyl)cyclohexyl bromide + 3,4,5-trifluoro-1-bromobenzene (138526-69-9) → trans-4-(trans-4'-n-propylcyclohexyl)-cyclohexyl-3,4,5-trifluorobenzene (131819-23-3)

Guidance literature:

With lithium; zinc dibromide; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; Yield given. Multistep reaction; 1.) toluene, THF, 5 deg C, 30 min, sonication, 2.) THF, r.t., 18 h;

DOI:10.1080/10587259508038680

upstream raw materials:

3,4,5-trifluoro-1-bromobenzene

4-(trans-4-n-propylcyclohexyl)cyclohexanone

Refernces

• 1、 -. "Trifluorobenzene derivative and liquid crystal composition containing the same". . . Retrieved 2008/06/13.