4-[difluoro(3,4,5-trifluorophenoxy)Methyl]-4'-pentyl-1,1'-bi(cyclohexyl)

Base Information

Chemical Name:4-[difluoro(3,4,5-trifluorophenoxy)Methyl]-4'-pentyl-1,1'-bi(cyclohexyl)
CAS No.:208338-52-7
Molecular Formula:C24H33F5O
Molecular Weight:432.510236
Hs Code.:
European Community (EC) Number:606-648-6
DSSTox Substance ID:DTXSID301120545
Nikkaji Number:J1.534.645K,J2.435.056H,J3.613.389I
Mol file:208338-52-7.mol

Synonyms:208338-52-7;4-[difluoro(3,4,5-trifluorophenoxy)Methyl]-4'-pentyl-1,1'-bi(cyclohexyl);(trans,trans)-4-(Difluoro(3,4,5-trifluorophenoxy)methyl)-4'-pentyl-1,1'-bi(cyclohexane);5-[difluoro-[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;SCHEMBL7524273;SCHEMBL7524278;SCHEMBL7524284;SCHEMBL7524289;OGGGWPPCVOSSBU-UHFFFAOYSA-N;OGGGWPPCVOSSBU-VVPTUSLJSA-N;DTXSID301120545;AKOS032953817;5-[difluoro-[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluoro-benzene;BS-51475;F71541;5-[difluoro-[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]-1, 2, 3-trifluorobenzene;(1r,1's,4r,4'r)-4-[difluoro(3,4,5-trifluorophenoxy)methyl]-4'-pentyl-1,1'-bi(cyclohexane);5-[difluoro[(trans,trans)-4'-pentyl[1,1'-bicyclohexyl]-4-yl]methoxy]-1,2,3-trifluoro-Benzene;5-[Difluoro[(trans,trans)-4'-pentyl[1,1'-bicyclohexyl]-4-yl]methoxy]-1,2,3-trifluorobenzene

Suppliers and Price of 4-[difluoro(3,4,5-trifluorophenoxy)Methyl]-4'-pentyl-1,1'-bi(cyclohexyl)

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 26 raw suppliers

Chemical Property of 4-[difluoro(3,4,5-trifluorophenoxy)Methyl]-4'-pentyl-1,1'-bi(cyclohexyl)

Chemical Property:

Boiling Point:436.5±40.0 °C(Predicted)
PSA：9.23000
Density:1.131±0.06 g/cm3(Predicted)
LogP:8.26860
XLogP3:10.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:432.24515648
Heavy Atom Count:30
Complexity:488

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCCC1CCC(CC1)C2CCC(CC2)C(OC3=CC(=C(C(=C3)F)F)F)(F)F

Technology Process of 4-[difluoro(3,4,5-trifluorophenoxy)Methyl]-4'-pentyl-1,1'-bi(cyclohexyl)

There total 4 articles about 4-[difluoro(3,4,5-trifluorophenoxy)Methyl]-4'-pentyl-1,1'-bi(cyclohexyl) 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:

: 2-(4'-pentyl-bicyclohexyl-4-yl)-2-(3,4,5-trifluoro-phenoxy)-[1,3]dithiane

: 208338-52-7
4-[difluoro-(3,4,5-trifluoro-phenoxy)-methyl]-4'-pentyl-bicyclohexyl

Guidance literature:: 2-(4'-pentyl-bicyclohexyl-4-yl)-2-(3,4,5-trifluoro-phenoxy)-[1,3]dithiane; With triethylamine tris(hydrogen fluoride); at -70 ℃; for 0.0833333h;

With bromine; In dichloromethane; at -70 - 0 ℃;
DOI:10.1002/1521-3773(20010417)40:8<1480::AID-ANIE1480>3.0.CO;2-M

Reference yield:

: 65355-33-1
trans-4-cyclohexyl-1-carboxylic acid

: 208338-52-7
4-[difluoro-(3,4,5-trifluoro-phenoxy)-methyl]-4'-pentyl-bicyclohexyl

Guidance literature:: Multi-step reaction with 3 steps

1.1: 90 percent / toluene; 2,2,4-trimethyl-pentane / 4 h / 102 - 104 °C

2.1: NEt₃ / CH₂Cl₂ / 1 h / -70 °C

3.1: NEt₃*3HF / 0.08 h / -70 °C

3.2: 22.8 g / Br₂ / CH₂Cl₂ / -70 - 0 °C

With triethylamine tris(hydrogen fluoride); triethylamine; In 2,2,4-trimethylpentane; dichloromethane; toluene;
DOI:10.1002/1521-3773(20010417)40:8<1480::AID-ANIE1480>3.0.CO;2-M

Reference yield:

: 5,6-dihydro-2-[(trans,trans)-4-(4-pentylcyclohexyl)cyclohexyl]-4H-1,3-dithiinium trifluoromethanesulfonate

: 208338-52-7
4-[difluoro-(3,4,5-trifluoro-phenoxy)-methyl]-4'-pentyl-bicyclohexyl

Guidance literature:: Multi-step reaction with 2 steps

1.1: NEt₃ / CH₂Cl₂ / 1 h / -70 °C

2.1: NEt₃*3HF / 0.08 h / -70 °C

2.2: 22.8 g / Br₂ / CH₂Cl₂ / -70 - 0 °C

With triethylamine tris(hydrogen fluoride); triethylamine; In dichloromethane;
DOI:10.1002/1521-3773(20010417)40:8<1480::AID-ANIE1480>3.0.CO;2-M