3,4,5-Trifluoro-4'-(trans-4-propylcyclohexyl)-1,1'-biphenyl

Base Information

• Chemical Name: 3,4,5-Trifluoro-4'-(trans-4-propylcyclohexyl)-1,1'-biphenyl
• CAS No.: 132123-39-8
• Molecular Formula: C₂₁H₂₃F₃
• Molecular Weight: 332.409
• Hs Code.: 29039990
• European Community (EC) Number: 603-547-9
• DSSTox Substance ID: DTXSID10566980
• Nikkaji Number: J1.751.042H,J683.741G
• Mol file: 132123-39-8.mol

Synonyms:132123-39-8;3,4,5-Trifluoro-4'-(trans-4-propylcyclohexyl)-1,1'-biphenyl;4'-(TRANS-4-PROPYLCYCLOHEXYL)-3,4,5-TRIFLUOROBIPHENYL;1,2,3-trifluoro-5-[4-(4-propylcyclohexyl)phenyl]benzene;1,1'-BIPHENYL, 3,4,5-TRIFLUORO-4'-(TRANS-4-PROPYLCYCLOHEXYL)-;MFCD09839001;3,4,5-Trifluoro-4'-(trans-4-propylcyclohexyl)biphenyl;4/'/'-(TRANS-4-PROPYLCYCLOHEXYL)-3,4,5-TRIFLUORO-BIPHENYL;4''-(TRANS-4-PROPYLCYCLOHEXYL)-3,4,5-TRIFLUORO-BIPHENYL;4'-(trans-4-Propylcyclohexyl)-3,4,5-trifluoro-biphenyl;3,4,5-Trifluoro-4'-(trans-4-propylcyclohexyl)- 1,1'-biphenyl;3,4,5-trifluoro-4'-(4-propylcyclohexyl)biphenyl;SCHEMBL764865;SCHEMBL5886439;SCHEMBL19339288;SCHEMBL19446488;SCHEMBL21626051;trans-3,4,5-Trifluoro-4'-(4-propylcyclohexyl)biphenyl;DTXSID10566980;C21H23F3;TRANS-3,4,5-TRIFLUORO-4'-(4-N-PROPYLCYCLOHEXYL)BIPHENYL;TRANS-3,4,5-TRIFLUORO-4'-(4-PROPYL-CYCLOHEXYL)-BIPHENYL;AKOS015917692;CS-W011945;DS-15504;SY106036;T3260;A851997;J-511108;3,4,5-Trifluoro-4'-((1s,4r)-4-propylcyclohexyl)biphenyl;4-(TRANS-4-PROPYLCYCLOHEXYL)-3,4,5-TRIFLUORO-BIPHENYL;3,4,5-Trifluoro-4''-(trans-4-propylcyclohexyl)-1,1''-biphenyl;3,4,5-Trifluoro-4'-((1S,4R)-4-propylcyclohexyl)-1,1'-biphenyl;3,4,5-Trifluoro-4'-(trans-4-propylcyclohexyl)biphenyl, >/=98%;3,4,5-Trifluoro-4 inverted exclamation mark -(trans-4-propylcyclohexyl)-1,1 inverted exclamation mark -biphenyl

Chemical Property of 3,4,5-Trifluoro-4'-(trans-4-propylcyclohexyl)-1,1'-biphenyl

Chemical Property:

• Vapor Pressure: 0-0.007Pa at 20-50℃
• Melting Point: 40.0 to 44.0 °C
• Boiling Point: 402.5 °C at 760 mmHg
• Flash Point: 228.4 °C
• PSA: 0.00000
• Density: 1.098 g/cm³
• LogP: 6.84480
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 7.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 332.17518522
• Heavy Atom Count: 24
• Complexity: 357

Purity/Quality:

99% ^*data from raw suppliers

3,4,5-Trifluoro-4'-(trans-4-propylcyclohexyl)biphenyl >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC(=C(C(=C3)F)F)F
• Uses: It is employed as a pharmaceutical intermediate.

Technology Process of 3,4,5-Trifluoro-4'-(trans-4-propylcyclohexyl)-1,1'-biphenyl

There total 4 articles about 3,4,5-Trifluoro-4'-(trans-4-propylcyclohexyl)-1,1'-biphenyl 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: 95.0%

C15H21Cl + 3,4,5-trifluorophenylboronic acid (143418-49-9) → 4'-(trans-4-propylcyclohexyl)-3,4,5-trifluorobiphenyl (132123-39-8)

Guidance literature:

With dichloro(cycloocta-1,5-diene)palladium (II); 2,2-[μ-(N,N'-piperazindiyl)dimethyl]-bis(4,6-di-tert-butyl-phenol); potassium carbonate; In methanol; Microwave irradiation; Inert atmosphere;

DOI:10.1002/aoc.1810

Reference yield: 90.0%

1-(trans-4-n-propylcyclohexyl)-4-bromobenzene (86579-53-5,167858-55-1) + 3,4,5-trifluorophenylboronic acid (143418-49-9) → 4'-(trans-4-Propylcyclohexyl)-3,4,5-trifluorobiphenyl (132123-39-8)

Guidance literature:

With 5%-palladium/activated carbon; potassium carbonate; In ethanol; water; at 80 ℃; for 2h;

DOI:10.1002/ejoc.201300334

Reference yield: 89.0%

4-(4-propylcyclohexyl)-1-bromobenzene (86579-53-5,167858-55-1) + 3,4,5-trifluorophenylboronic acid (143418-49-9) → 3,4,5-trifluoro-4'-(4-propyl-cyclohexyl)-biphenyl (132123-39-8)

Guidance literature:

With potassium phosphate; cis-bis((diphenylphosphino)acetate-κ2P,O)palladium(II); In tetrahydrofuran; at 25 - 27 ℃; for 6h;

DOI:10.1016/j.jfluchem.2005.09.003

upstream raw materials:

1-(trans-4-n-propylcyclohexyl)-4-bromobenzene

3,4,5-trifluoro-1-bromobenzene

3,4,5-trifluorophenylboronic acid

4-(4-propylcyclohexyl)-1-bromobenzene

Refernces

• 1、 Guo, Mengping,Jian, Fangfang,He, Ren. "Efficient synthesis of fluorinated biphenyl derivatives via Pd-catalyzed Suzuki coupling reactions in aqueous solvents at room temperature". . p. 177 - 181. Retrieved 2006.
• 2、 Demus,Goto,Sawada,Nakagawa,Saito. "Trifluorinated liquid crystals for TFT displays". . p. 1 - 21. Retrieved 2007/10/02.