Cyclohexane, 1,4-bis(difluoromethylene)-

Base Information

• Chemical Name: Cyclohexane, 1,4-bis(difluoromethylene)-
• CAS No.: 658-18-4
• Molecular Formula: C8H8F4
• Molecular Weight: 180.14300
• DSSTox Substance ID: DTXSID701277566
• Mol file: 658-18-4.mol

Synonyms:Cyclohexane, 1,4-bis(difluoromethylene)-;658-18-4;DTXSID701277566

Chemical Property of Cyclohexane, 1,4-bis(difluoromethylene)-

Chemical Property:

• PSA: 0.00000
• LogP: 3.86160
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 180.05621290
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

95% ^*data from raw suppliers

1,4-bis(difluoromethylene)cyclohexane 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=C(F)F)CCC1=C(F)F

Technology Process of Cyclohexane, 1,4-bis(difluoromethylene)-

There total 2 articles about Cyclohexane, 1,4-bis(difluoromethylene)- 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: 36.0%

dibromodifluoromethane (75-61-6) + 1,4-Cyclohexanedione (637-88-7) → 1,4-bis(difluoromethylene)cyclohexane (658-18-4)

Guidance literature:

dibromodifluoromethane; With Hexamethylphosphorous triamide; In tetrahydrofuran; at -5 ℃; for 2h;

1,4-Cyclohexanedione; In tetrahydrofuran; at 20 ℃; for 18h;

DOI:10.1135/cccc20021517

Reference yield:

1,4-Dibromo-cyclohexane-1,4-dicarboxylic acid → 1,4-bis(difluoromethylene)cyclohexane (658-18-4)

Guidance literature:

Multistep reaction; (i) SF₄, (ii) Zn, aq. EtOH;

DOI:10.1021/jo01045a502

Reference yield: 99.0%

1,4-bis(difluoromethylene)cyclohexane (658-18-4) → 1,1,2,2-tetrafluoro-3,6-dimethylenecyclohexane

Guidance literature:

at 360 ℃; for 3.33333h; under 7.5006 Torr; Thermodynamic data;

DOI:10.1135/cccc20021517

upstream raw materials:

dibromodifluoromethane

1,4-Cyclohexanedione

Downstream raw materials:

trans-1,4-Dibrom-1,4-bis-(brom-difluor-methyl)-cyclohexan

α,α'-dibromo-α,α,α',α'-tetrafluoro-p-xylene

Refernces