1,2,3-Trifluoro-5-[2-fluoro-4-(4-propylcyclohexyl)phenyl]benzene

Base Information

• Chemical Name: 1,2,3-Trifluoro-5-[2-fluoro-4-(4-propylcyclohexyl)phenyl]benzene
• CAS No.: 173837-35-9
• Molecular Formula: C21H22F4
• Molecular Weight: 350.39300
• European Community (EC) Number: 605-697-0
• DSSTox Substance ID: DTXSID201168445
• Nikkaji Number: J1.799.531F,J1.934.785K
• Mol file: 173837-35-9.mol

Synonyms:173837-35-9;2',3,4,5-Tetrafluoro-4'-(trans-4-propylcyclohexyl)biphenyl;2,3',4',5'-Tetrafluoro-4-((1s,4r)-4-propylcyclohexyl)-1,1'-biphenyl;1,2,3-trifluoro-5-[2-fluoro-4-(4-propylcyclohexyl)phenyl]benzene;MFCD22380673;1,1'-Biphenyl, 2,3',4',5'-tetrafluor-4-(trans-4-propylcyclohexyl)-;2,3',4',5'-tetrafluoro-4-(trans-4-propylcyclohexyl)-1,1'-Biphenyl;rel-2,3',4',5'-Tetrafluoro-4-((1s,4r)-4-propylcyclohexyl)-1,1'-biphenyl;SCHEMBL2885414;SCHEMBL2885418;DTXSID201168445;C21H22F4;AKOS030524124;SB66356;DS-19545;SY056193;CS-0061436;T3317;N10706;T71925;3,4,5,2'-Tetrafluoro-4'-(4-Propyl-Cyclohexyl)-Bipenyl;1,1-Biphenyl, 2,3,4,5-tetrafluor-4-(trans-4-propylcyclohexyl)-;2',3,4,5-Tetrafluoro-4-(trans-4-propylcyclohexyl)-1,1-biphenyl;1,1prime;-biphenyl, 2,3prime;,4prime;,5prime;-tetrafluor-4-(trans-4-propylcyclohexyl)-;2,3 inverted exclamation mark ,4 inverted exclamation mark ,5 inverted exclamation mark -Tetrafluoro-4-(trans-4-propylcyclohexyl)-1,1 inverted exclamation mark -biphenyl

Chemical Property of 1,2,3-Trifluoro-5-[2-fluoro-4-(4-propylcyclohexyl)phenyl]benzene

Chemical Property:

• Melting Point: 61.0 to 65.0 °C
• Boiling Point: 392.0±42.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.141±0.06 g/cm3(Predicted)
• LogP: 6.98390
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 7.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 350.16576335
• Heavy Atom Count: 25
• Complexity: 395

Purity/Quality:

97% ^*data from raw suppliers

2',3,4,5-Tetrafluoro-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)F

Technology Process of 1,2,3-Trifluoro-5-[2-fluoro-4-(4-propylcyclohexyl)phenyl]benzene

There total 6 articles about 1,2,3-Trifluoro-5-[2-fluoro-4-(4-propylcyclohexyl)phenyl]benzene 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: 93.9%

4-(4-propylenecyclohexyl)-2,3',4',5'-tetrafluorobiphenyl → 4-(trans-4-propylcyclohexyl)-2,3',4',5'-tetrafluorobiphenyl (173837-35-9)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In ethanol; at 40 ℃; under 2250.23 - 3750.38 Torr;

Reference yield:

2,3',4',5'-tetrafluoro-4-iodobiphenyl → 4-(trans-4-propylcyclohexyl)-2,3',4',5'-tetrafluorobiphenyl (173837-35-9)

Guidance literature:

Multi-step reaction with 5 steps

1.1: isopropylmagnesium chloride / tetrahydrofuran / 1 h / 0 - 20 °C

1.2: 2 h / 60 °C

2.1: toluene-4-sulfonic acid / ethylene glycol / 5 h / Reflux

3.1: 5%-palladium/activated carbon; hydrogen / ethanol / 40 °C / 2250.23 - 3750.38 Torr

3.2: 4 h / Reflux

4.1: potassium tert-butylate / tetrahydrofuran / 0.33 h / -10 - 0 °C

4.2: 2 h / -5 °C

5.1: 5%-palladium/activated carbon; hydrogen / ethanol / 40 °C / 2250.23 - 3750.38 Torr

With 5%-palladium/activated carbon; potassium tert-butylate; hydrogen; isopropylmagnesium chloride; toluene-4-sulfonic acid; In tetrahydrofuran; ethanol; ethylene glycol; 4.1: |Wittig Olefination / 4.2: |Wittig Olefination;

Reference yield:

C20H18F4O3 → 4-(trans-4-propylcyclohexyl)-2,3',4',5'-tetrafluorobiphenyl (173837-35-9)

Guidance literature:

Multi-step reaction with 4 steps

1.1: toluene-4-sulfonic acid / ethylene glycol / 5 h / Reflux

2.1: 5%-palladium/activated carbon; hydrogen / ethanol / 40 °C / 2250.23 - 3750.38 Torr

2.2: 4 h / Reflux

3.1: potassium tert-butylate / tetrahydrofuran / 0.33 h / -10 - 0 °C

3.2: 2 h / -5 °C

4.1: 5%-palladium/activated carbon; hydrogen / ethanol / 40 °C / 2250.23 - 3750.38 Torr

With 5%-palladium/activated carbon; potassium tert-butylate; hydrogen; toluene-4-sulfonic acid; In tetrahydrofuran; ethanol; ethylene glycol; 3.1: |Wittig Olefination / 3.2: |Wittig Olefination;

upstream raw materials:

cyclohexanedione monoethylene ketal

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