1,3-Difluoro-5-(trans-4-propylcyclohexyl)benzene

Base Information

• Chemical Name: 1,3-Difluoro-5-(trans-4-propylcyclohexyl)benzene
• CAS No.: 144261-13-2
• Molecular Formula: C15H20 F2
• Molecular Weight: 238.321
• European Community (EC) Number: 604-405-9
• DSSTox Substance ID: DTXSID00594151
• Mol file: 144261-13-2.mol

Synonyms:144261-13-2;1,3-Difluoro-5-(trans-4-propylcyclohexyl)benzene;1,3-difluoro-5-(4-propylcyclohexyl)benzene;Benzene, 1,3-difluoro-5-(trans-4-propylcyclohexyl)-;1,3-Difluor-5-(trans-4-propylcyclohexyl)-benzol;1,3-DIFLUORO-5-(TRANS-4-PROPYLCYCLOHEXYL)-BENZOL;1,3-difluoro-5-[(1s,4r)-4-propylcyclohexyl]benzene;1,3-difluoro-5-((1s,4r)-4-propylcyclohexyl)benzene;SCHEMBL4863674;SCHEMBL4863685;SCHEMBL16080732;DTXSID00594151;GHOUEKQRKXYGHJ-HAQNSBGRSA-N;C15H20F2;MFCD09750933;AKOS027460703;SB66910;DS-19156;CS-0059889;A11460;1-(trans-4-propylcyclohexyl)-3,5-difluorobenzene;A855162

Chemical Property of 1,3-Difluoro-5-(trans-4-propylcyclohexyl)benzene

Chemical Property:

• Refractive Index: 1.478
• Boiling Point: 279.1±33.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.022±0.06 g/cm3(Predicted)
• LogP: 5.03870
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 238.15330696
• Heavy Atom Count: 17
• Complexity: 211

Purity/Quality:

97% ^*data from raw suppliers

1,3-Difluoro-5-(trans-4-propylcyclohexyl)benzene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1CCC(CC1)C2=CC(=CC(=C2)F)F

Technology Process of 1,3-Difluoro-5-(trans-4-propylcyclohexyl)benzene

There total 6 articles about 1,3-Difluoro-5-(trans-4-propylcyclohexyl)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: 85.0%

2,6-difluoro-4-(trans-4-propylcyclohexyl)benzene (173306-02-0) → 1-(trans-4-propylcyclohexyl)-3,5-difluorobenzene (144261-13-2)

Guidance literature:

With potassium tert-butylate; In N,N-dimethyl-formamide; at 120 ℃; for 0.5h;

DOI:10.1080/10587259508038685

Reference yield:

3,5-difluorobromobenzene (461-96-1) → 1-(trans-4-propylcyclohexyl)-3,5-difluorobenzene (144261-13-2)

Guidance literature:

Multi-step reaction with 3 steps

1: Mg / tetrahydrofuran / Heating

2: PTS / ethane-1,2-diol; xylene / Heating

3: H₂ / Pd/C / tetrahydrofuran

With hydrogen; pyridinium p-toluenesulfonate; magnesium; palladium on activated charcoal; In tetrahydrofuran; ethylene glycol; xylene;

DOI:10.1080/10587250108025063

Reference yield:

4-propyl-cyclohexanone (40649-36-3) → 1-(trans-4-propylcyclohexyl)-3,5-difluorobenzene (144261-13-2)

Guidance literature:

Multi-step reaction with 3 steps

1: Mg / tetrahydrofuran / Heating

2: PTS / ethane-1,2-diol; xylene / Heating

3: H₂ / Pd/C / tetrahydrofuran

With hydrogen; pyridinium p-toluenesulfonate; magnesium; palladium on activated charcoal; In tetrahydrofuran; ethylene glycol; xylene;

DOI:10.1080/10587250108025063

upstream raw materials:

2,6-difluoro-4-(trans-4-propylcyclohexyl)benzene

1,3-Difluoro-5-(4-propyl-cyclohex-1-enyl)-benzene

3,5-difluorobromobenzene

4-propyl-cyclohexanone

Downstream raw materials:

1-(trans-4-propylcyclohexyl)-3,5-difluoro-4-iodobenzene

2-Ethynyl-1,3-difluoro-5-(4-propyl-cyclohexyl)-benzene

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