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

Base Information

• Chemical Name: 3,4,5-Trifluoro-4'-(trans-4-pentylcyclohexyl)-1,1'-biphenyl
• CAS No.: 137019-95-5
• Molecular Formula: C₂₃H₂₇F₃
• Molecular Weight: 360.463
• Hs Code.: 2903999090
• European Community (EC) Number: 603-995-5
• DSSTox Substance ID: DTXSID30577053
• Nikkaji Number: J2.016.868D,J1.362.189F
• Mol file: 137019-95-5.mol

Synonyms:137019-95-5;3,4,5-Trifluoro-4'-(trans-4-pentylcyclohexyl)-1,1'-biphenyl;3,4,5-TRIFLUORO-4'-(TRANS-4-PENTYLCYCLOHEXYL)BIPHENYL;1,2,3-TRIFLUORO-5-[4-(4-PENTYLCYCLOHEXYL)PHENYL]BENZENE;1,1'-Biphenyl, 3,4,5-trifluoro-4'-(trans-4-pentylcyclohexyl)-;MFCD09839002;C23H27F3;4'-(TRANS-4-PENTYLCYCLOHEXYL)-3,4,5-TRIFLUORO-BIPHENYL;SCHEMBL7508424;SCHEMBL8029032;DTXSID30577053;PRYCYWMMSZSXBK-UHFFFAOYSA-N;1,1'-Biphenyl,3,4,5-trifluoro-4'-(trans-4-pentylcyclohexyl)-;TRANS-3,4,5-TRIFLUORO-4'-(4-PENTYL-CYCLOHEXYL)-BIPHENYL;AKOS015917786;SB66516;DS-15509;SY108634;CS-0061484;T3397;4'-(trans-4-Pentylcyclohexyl)-3,4,5-Trifluorobiphenyl;3,4,5-Trifluoro-4'-((1s,4r)-4-pentylcyclohexyl)biphenyl;4 inverted exclamation marka-(trans-4-Pentylcyclohexyl)-3,4,5-trifluoro-biphenyl;3,4,5-Trifluoro-4 inverted exclamation mark -(trans-4-pentylcyclohexyl)-1,1 inverted exclamation mark -biphenyl;3~3~,3~4~,3~5~-Trifluoro-1~4~-pentyl-1~1~,1~2~,1~3~,1~4~,1~5~,1~6~-hexahydro-1~1~,2~1~:2~4~,3~1~-terphenyl

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

Chemical Property:

• Boiling Point: 429.9 °C at 760 mmHg
• Flash Point: 248.4 °C
• PSA: 0.00000
• Density: 1.073 g/cm³
• LogP: 7.62500
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 8.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 360.20648535
• Heavy Atom Count: 26
• Complexity: 384

Purity/Quality:

99% ^*data from raw suppliers

3,4,5-Trifluoro-4'-(trans-4-pentylcyclohexyl)biphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC(=C(C(=C3)F)F)F
• Uses: It is used as a medical intermediate.

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

There total 6 articles about 3,4,5-Trifluoro-4'-(trans-4-pentylcyclohexyl)-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: 93.0%

1-bromo-4-(4-pentylcyclohexyl)benzene (153873-83-7) + 3,4,5-trifluorophenylboronic acid (143418-49-9) → 3,4,5-trifluoro-4'-(4-pentyl-cyclohexyl)-biphenyl (137019-95-5)

Guidance literature:

With potassium phosphate tribasic trihydrate; C₂₁H₂₆ClN₂OPd; In ethanol; at 60 ℃; for 5h;

DOI:10.1016/j.tet.2009.11.072

Reference yield: 91.0%

1-bromo-4-(trans-4-pentylcyclohexyl)benzene (79832-89-6,153873-83-7) + 3,4,5-trifluorophenylboronic acid (143418-49-9) → 3,4,5-trifluoro-4'-(4-pentylcyclohexyl)-1,1'-biphenyl (137019-95-5)

Guidance literature:

With 5%-palladium/activated carbon; potassium carbonate; In ethanol; water; at 80 ℃; for 2.5h;

DOI:10.1002/ejoc.201300334

Reference yield: 86.0%

1-iodo-4-(4-pentylcyclohexyl)benzene (948553-20-6) + C26H19F3NSb → 3,4,5-trifluoro-4'-(4-pentyl-cyclohexyl)-biphenyl (137019-95-5)

Guidance literature:

With palladium diacetate; tetrabutyl phosphonium bromide; caesium carbonate; In tetrahydrofuran; water; at 110 ℃; for 8h;

DOI:10.1021/acscatal.1c04533

upstream raw materials:

1-bromo-4-(trans-4-pentylcyclohexyl)benzene

3,4,5-trifluoro-1-bromobenzene

3,4,5-trifluorophenylboronic acid

1-bromo-4-(4-pentylcyclohexyl)benzene

Refernces

• 1、 Huang, Mei,Cheng, Jianhua,Tao, Xiaochun,Wei, Mingwang,Shen, Dong. "Application of Suzuki cross-coupling reaction catalyzed by ligandless palladium chloride in the synthesis of liquid crystals". . p. 2203 - 2208. Retrieved 2007.
• 2、 Liu, Chun,Rao, Xiaofeng,Zhang, Yixia,Li, Xinmin,Qiu, Jieshan,Jin, Zilin. "An aerobic and very fast Pd/C-catalyzed ligand-free and aqueous Suzuki reaction under mild conditions". supporting information. p. 4345 - 4350. Retrieved 2013/07/26.