1,1,1-Trifluoro-4-(4-methoxyphenyl)but-3-YN-2-one

Base Information

Chemical Name:1,1,1-Trifluoro-4-(4-methoxyphenyl)but-3-YN-2-one
CAS No.:89965-74-2
Molecular Formula:C11H7F3O2
Molecular Weight:228.171
Hs Code.:
DSSTox Substance ID:DTXSID70520386
Wikidata:Q82384243

Synonyms:1,1,1-TRIFLUORO-4-(4-METHOXYPHENYL)BUT-3-YN-2-ONE;89965-74-2;DTXSID70520386

Suppliers and Price of 1,1,1-Trifluoro-4-(4-methoxyphenyl)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-(4-methoxyphenyl)but-3-YN-2-one

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:228.03981395
Heavy Atom Count:16
Complexity:313

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=C(C=C1)C#CC(=O)C(F)(F)F

Technology Process of 1,1,1-Trifluoro-4-(4-methoxyphenyl)but-3-YN-2-one

There total 6 articles about 1,1,1-Trifluoro-4-(4-methoxyphenyl)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: 87.0%

: 383-63-1
ethyl trifluoroacetate,

: 41448-64-0
1-(2,2-dichlorovinyl)-4-methoxybenzene

: 89965-74-2
1,1,1-trifluoro-4-(4-methoxyphenyl)but-3-yn-2-one

Guidance literature:: 1-(2,2-dichlorovinyl)-4-methoxybenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -90 - 5 ℃; Inert atmosphere;

ethyl trifluoroacetate,; In tetrahydrofuran; hexane; at -90 - 5 ℃; Inert atmosphere;
DOI:10.1002/ejoc.202000531 DOI:10.1021/acs.joc.0c01277

Reference yield: 85.0%

: 89619-11-4
4-(4-methoxyphenyl)-1,1,1-trifluorobut-3-yn-2-ol

: 89965-74-2
1,1,1-trifluoro-4-(4-methoxyphenyl)but-3-yn-2-one

Guidance literature:: With 2,6-dimethylpyridine; 4-acetylamino-2,2,6,6-tetramethylpiperidine-1-oxoammonium tetrafluoroborate; In dichloromethane; at 20 ℃; Sealed tube;
DOI:10.1021/jo301477s

Reference yield: 79.0%

: 383-63-1
ethyl trifluoroacetate,

: 768-60-5
4-methoxyphenylacetylen

: 89965-74-2
1,1,1-trifluoro-4-(4-methoxyphenyl)but-3-yn-2-one

Guidance literature:: 4-methoxyphenylacetylen; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h; Inert atmosphere;

ethyl trifluoroacetate,; With boron trifluoride diethyl etherate; In tetrahydrofuran; hexane; at -78 ℃; for 2h; Inert atmosphere;
DOI:10.1002/anie.201806249