4,4,4-Trifluoro-1-(pentafluorophenyl)butane-1,3-dione

Base Information

Chemical Name:4,4,4-Trifluoro-1-(pentafluorophenyl)butane-1,3-dione
CAS No.:33107-70-9
Molecular Formula:C10H2F8O2
Molecular Weight:306.112
Hs Code.:
DSSTox Substance ID:DTXSID10503557
Wikidata:Q82357481

Synonyms:4,4,4-Trifluoro-1-(pentafluorophenyl)butane-1,3-dione;33107-70-9;SCHEMBL17318341;DTXSID10503557;LMJIOHKBCCFYGQ-UHFFFAOYSA-N

Suppliers and Price of 4,4,4-Trifluoro-1-(pentafluorophenyl)butane-1,3-dione

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 4,4,4-Trifluoro-1-(pentafluorophenyl)butane-1,3-dione

Chemical Property:

XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:3
Exact Mass:305.99270460
Heavy Atom Count:20
Complexity:379

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C(C(=O)C1=C(C(=C(C(=C1F)F)F)F)F)C(=O)C(F)(F)F

Technology Process of 4,4,4-Trifluoro-1-(pentafluorophenyl)butane-1,3-dione

There total 4 articles about 4,4,4-Trifluoro-1-(pentafluorophenyl)butane-1,3-dione 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: 60.0%

: 383-63-1
ethyl trifluoroacetate,

: 652-29-9
2',3',4',5',6'-pentafluoroacetophenone

: 33107-70-9
4,4,4-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)butane-1,3-dione

Guidance literature:: With sodium hydride; dimethyl sulfoxide; at 35 ℃; for 40h;
DOI:10.1016/S0022-1139(00)82581-6

Reference yield:

: C₂₀H₂CuF₁₆O₄

: 33107-70-9
4,4,4-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)butane-1,3-dione

Guidance literature:: With sulfuric acid; at 0 ℃;
DOI:10.1016/j.tetlet.2016.02.092

Reference yield:

: 652-29-9
2',3',4',5',6'-pentafluoroacetophenone

: 33107-70-9
4,4,4-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)butane-1,3-dione

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium t-butanolate / pentane / 1 h / 0 - 20 °C

1.2: 1 h / 20 °C

2.1: sulfuric acid / 0 °C

With sulfuric acid; sodium t-butanolate; In pentane; 1.1: |Claisen Condensation;
DOI:10.1016/j.tetlet.2016.02.092