5-(4-Chloro-1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonyl)-2-ethoxy-4-(furan-2-yl)-6-phenyl-3,4-dihydro-2H-pyran

Base Information

Chemical Name:5-(4-Chloro-1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonyl)-2-ethoxy-4-(furan-2-yl)-6-phenyl-3,4-dihydro-2H-pyran
CAS No.:905560-41-0
Molecular Formula:C₂₁H₁₇ClF₈O₅S
Molecular Weight:568.869
Hs Code.:
DSSTox Substance ID:DTXSID80701689
Nikkaji Number:J2.329.023E
Mol file:905560-41-0.mol

Synonyms:5-(4-Chloro-1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonyl)-2-ethoxy-4-(furan-2-yl)-6-phenyl-3,4-dihydro-2H-pyran;905560-41-0;DTXSID80701689;2-Ethoxy-4-(2-furanyl)-5-(1,1,2,2,3,3,4,4-octafluoro-4-chlorobutylsulfonyl)-6-phenyl-3,4-dihydro-2H-pyran

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

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Chemical Property of 5-(4-Chloro-1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonyl)-2-ethoxy-4-(furan-2-yl)-6-phenyl-3,4-dihydro-2H-pyran

Chemical Property:

PSA：74.12000
LogP:7.70550
XLogP3:6.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:9
Exact Mass:568.0357478
Heavy Atom Count:36
Complexity:931

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC1CC(C(=C(O1)C2=CC=CC=C2)S(=O)(=O)C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)C3=CC=CO3

Technology Process of 5-(4-Chloro-1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonyl)-2-ethoxy-4-(furan-2-yl)-6-phenyl-3,4-dihydro-2H-pyran

There total 3 articles about 5-(4-Chloro-1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonyl)-2-ethoxy-4-(furan-2-yl)-6-phenyl-3,4-dihydro-2H-pyran 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: 97.0%

: 905560-32-9
(E)-2-(4-Chloro-1,1,2,2,3,3,4,4-octafluoro-butane-1-sulfonyl)-3-furan-2-yl-1-phenyl-propenone

: 109-92-2,25104-37-4
ethyl vinyl ether

: 905560-41-0
5-(4-chloro-1,1,2,2,3,3,4,4-octafluoro-butane-1-sulfonyl)-2-ethoxy-4-furan-2-yl-6-phenyl-3,4-dihydro-2H-pyran

Guidance literature:: at 80 ℃; for 3h;
DOI:10.1016/j.tetlet.2006.04.156

Reference yield:

: 2-(4-chloro-1,1,2,2,3,3,4,4-octafluoro-butane-1-sulfonyl)-1-phenyl-ethanone

: 905560-41-0
5-(4-chloro-1,1,2,2,3,3,4,4-octafluoro-butane-1-sulfonyl)-2-ethoxy-4-furan-2-yl-6-phenyl-3,4-dihydro-2H-pyran

Guidance literature:: Multi-step reaction with 2 steps

1: 94 percent / 4 Angstroem molecular sieves / ammonium acetate / benzene / 8 h / 20 °C

2: 97 percent / 3 h / 80 °C

With 4 A molecular sieve; ammonium acetate; In benzene; 1: Knoevenagel reaction / 2: hetero-Diels-Alder reaction;
DOI:10.1016/j.tetlet.2006.04.156

Reference yield:

: 98-01-1
furfural

: 905560-41-0
5-(4-chloro-1,1,2,2,3,3,4,4-octafluoro-butane-1-sulfonyl)-2-ethoxy-4-furan-2-yl-6-phenyl-3,4-dihydro-2H-pyran

Guidance literature:: Multi-step reaction with 2 steps

1: 94 percent / 4 Angstroem molecular sieves / ammonium acetate / benzene / 8 h / 20 °C

2: 97 percent / 3 h / 80 °C

With 4 A molecular sieve; ammonium acetate; In benzene; 1: Knoevenagel reaction / 2: hetero-Diels-Alder reaction;
DOI:10.1016/j.tetlet.2006.04.156