4,4,5,5,6,6,6-Heptafluoro-1-phenylhex-1-yn-3-one

Base Information

Chemical Name:4,4,5,5,6,6,6-Heptafluoro-1-phenylhex-1-yn-3-one
CAS No.:67036-08-2
Molecular Formula:C12H5F7O
Molecular Weight:298.16
Hs Code.:
DSSTox Substance ID:DTXSID10520385
Nikkaji Number:J1.787.752F
Wikidata:Q82384241

Synonyms:4,4,5,5,6,6,6-Heptafluoro-1-phenylhex-1-yn-3-one;67036-08-2;DTXSID10520385;NS00109168

Suppliers and Price of 4,4,5,5,6,6,6-Heptafluoro-1-phenylhex-1-yn-3-one

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 1 raw suppliers

Chemical Property of 4,4,5,5,6,6,6-Heptafluoro-1-phenylhex-1-yn-3-one

Chemical Property:

XLogP3:4.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:298.02286191
Heavy Atom Count:20
Complexity:432

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C#CC(=O)C(C(C(F)(F)F)(F)F)(F)F

Technology Process of 4,4,5,5,6,6,6-Heptafluoro-1-phenylhex-1-yn-3-one

There total 4 articles about 4,4,5,5,6,6,6-Heptafluoro-1-phenylhex-1-yn-3-one 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: 75.0%

: 356-27-4
ethyl heptafluorobutyrate

: 536-74-3
phenylacetylene

: 67036-08-2
4,4,5,5,6,6,6-heptafluoro-1-phenyl-hexa-1-yn-3-one

Guidance literature:: phenylacetylene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 3h; Inert atmosphere;

ethyl heptafluorobutyrate; With boron trifluoride diethyl etherate; In tetrahydrofuran; hexane; at -78 ℃; for 2h; Inert atmosphere;
DOI:10.1021/acs.orglett.9b03684

Reference yield:

: 53580-21-5
4,4,5,5,6,6,6-heptafluoro-1-phenyl-hexane-1,3-dione

: 89965-72-0
4,4,5,5,6,6,6-Heptafluoro-1-phenyl-hex-2-yn-1-one

: 67036-08-2
4,4,5,5,6,6,6-heptafluoro-1-phenyl-hexa-1-yn-3-one

: 791-28-6
Triphenylphosphine oxide

Guidance literature:: With triethylamine; dibromotriphenylphosphorane; In dichloromethane; at 20 ℃; for 4h; Yield given. Yields of byproduct given; or triphenylphosphine dichloride, other time;
DOI:10.1007/BF00953736