1,1,1-Trifluoro-4-phenyl-but-3-yn-2-one

Base Information

Chemical Name:1,1,1-Trifluoro-4-phenyl-but-3-yn-2-one
CAS No.:58518-08-4
Molecular Formula:C10H5F3O
Molecular Weight:198.144
Hs Code.:
DSSTox Substance ID:DTXSID50456174
Nikkaji Number:J247.281C
Wikidata:Q82278405
ChEMBL ID:CHEMBL2289167

Synonyms:58518-08-4;1,1,1-trifluoro-4-phenylbut-3-yn-2-one;1,1,1-trifluoro-4-phenyl-but-3-yn-2-one;3-Butyn-2-one, 1,1,1-trifluoro-4-phenyl-;SCHEMBL401353;CHEMBL2289167;DTXSID50456174;Phenylethynyl(trifluoromethyl) ketone;phenylacetylenyl trifluoromethyl ketone;C91103;A1-41987

Suppliers and Price of 1,1,1-Trifluoro-4-phenyl-but-3-yn-2-one

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 1,1,1-Trifluoro-4-phenyl-but-3-yn-2-one

Chemical Property:

PSA：17.07000
LogP:2.16950
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:198.02924926
Heavy Atom Count:14
Complexity:273

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 1,1,1-Trifluoro-4-phenyl-but-3-yn-2-one

There total 24 articles about 1,1,1-Trifluoro-4-phenyl-but-3-yn-2-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: 93.0%

: 1199-95-7
1-(trimethylstannyl)-2-phenylethyne

: 407-25-0
trifluoroacetic anhydride

: 58518-08-4
1,1,1-trifluoro-4-phenylbut-3-yn-2-one

Guidance literature:: In dichloromethane; for 1h; Ambient temperature;

Reference yield: 92.0%

: 383-63-1
ethyl trifluoroacetate,

: 536-74-3
phenylacetylene

: 58518-08-4
1,1,1-trifluoro-4-phenylbut-3-yn-2-one

Guidance literature:: phenylacetylene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

ethyl trifluoroacetate,; With boron trifluoride diethyl etherate; In tetrahydrofuran; hexane; at -78 ℃; for 2.5h;
DOI:10.1021/acs.orglett.8b01787