1,1,1-Trifluoro-4-phenylbut-3-en-2-one

Base Information

Chemical Name:1,1,1-Trifluoro-4-phenylbut-3-en-2-one
CAS No.:86571-25-7
Molecular Formula:C₁₀H₇F₃O
Molecular Weight:200.16
Hs Code.:
DSSTox Substance ID:DTXSID60876187
Nikkaji Number:J665.282D,J912.606F
Wikidata:Q82857747
ChEMBL ID:CHEMBL75566
Mol file:86571-25-7.mol

Synonyms:1,1,1-trifluoro-4-phenylbut-3-en-2-one;86571-25-7;(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-one;Trifluoromethylstyryl ketone;CHEMBL75566;SCHEMBL2396441;DTXSID60876187;MFCD00192532;[(E)-Styryl](trifluoromethyl) ketone;AKOS005144544;DS-6878;3-Buten-2-one,1,1,1-trifluoro-4-phenyl-;CS-0156619;3-Buten-2-one, 1,1,1-trifluoro-4-phenyl-;C76817;(E)-1,1,1-trifluoro-4-phenyl-3-butene-2-one;EN300-1862837;EN300-6502336;trans-1,1,1-trifluoro-4-phenyl-3-buten-2-one;A916279;J-503701;(3E)-1,1,1-TRIFLUORO-4-PHENYLBUT-3-EN-2-ONE;3108-32-5

Suppliers and Price of 1,1,1-Trifluoro-4-phenylbut-3-en-2-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
Packaging
price

Crysdot
1,1,1-Trifluoro-4-phenylbut-3-en-2-one 95+%
5g
$ 822.00

Crysdot
1,1,1-Trifluoro-4-phenylbut-3-en-2-one 95+%
1g
$ 274.00

Chemenu
(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-one 95%
1g
$ 259.00

Chemenu
(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-one 95%
5g
$ 776.00

American Custom Chemicals Corporation
1,1,1-TRIFLUORO-4-PHENYLBUT-3-EN-2-ONE 95.00%
5MG
$ 505.59

Ambeed
1,1,1-Trifluoro-4-phenylbut-3-en-2-one 95%
250mg
$ 117.00

Ambeed
1,1,1-Trifluoro-4-phenylbut-3-en-2-one 95%
100mg
$ 75.00

Ambeed
1,1,1-Trifluoro-4-phenylbut-3-en-2-one 95%
1g
$ 284.00

Ambeed
1,1,1-Trifluoro-4-phenylbut-3-en-2-one 95%
5g
$ 887.00

Alichem
1,1,1-Trifluoro-4-phenylbut-3-en-2-one
5g
$ 854.90

Total 11 raw suppliers

Chemical Property of 1,1,1-Trifluoro-4-phenylbut-3-en-2-one

Chemical Property:

Melting Point:16°C
Refractive Index:1.5380
Boiling Point:43 - 44 °C (0.08 mmHg)
PSA：17.07000
Density:1.2480
LogP:2.83120
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:200.04489933
Heavy Atom Count:14
Complexity:224

Purity/Quality:

97% ^*data from raw suppliers

1,1,1-Trifluoro-4-phenylbut-3-en-2-one 95+% ^*data from reagent 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(F)(F)F
Isomeric SMILES:C1=CC=C(C=C1)/C=C/C(=O)C(F)(F)F

Technology Process of 1,1,1-Trifluoro-4-phenylbut-3-en-2-one

There total 40 articles about 1,1,1-Trifluoro-4-phenylbut-3-en-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: 97.0%

: 683-08-9
Diethyl methylphosphonate

: 100-52-7
benzaldehyde

: (Z)-2,2,2-trifluoro-N-phenylacetimidoyl chloride

: 3108-32-5,86571-25-7
(E)-1,1,1-trifluoro-4-phenyl-3-buten-2-one

Guidance literature:: Diethyl methylphosphonate; With n-butyllithium; diisopropylamine; In tetrahydrofuran; at -78 ℃; for 0.333333h; Inert atmosphere;

(Z)-2,2,2-trifluoro-N-phenylacetimidoyl chloride; In tetrahydrofuran; at -78 ℃; for 1h; Inert atmosphere;

benzaldehyde; Further stages;
DOI:10.1021/ol403697h

Reference yield: 96.0%

: 80768-54-3,89524-14-1,108644-84-4,108644-85-5,108644-86-6,111004-15-0,122920-67-6,122920-68-7,122920-76-7,89524-18-5
(+/-)-E-1,1,1-trifluoro-4-phenylbut-3-en-2-ol

: 3108-32-5,86571-25-7
(E)-1,1,1-trifluoro-4-phenyl-3-buten-2-one

Guidance literature:: With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In ethyl acetate; for 22h; Reflux;
DOI:10.1016/j.tetlet.2013.06.045

Reference yield: 93.0%

: 6783-05-7
trans-2-phenylvinylboronic acid

: 75072-07-0
S-(trifluoroacetyl)-p-methylthiophenol

: 3108-32-5,86571-25-7
(E)-1,1,1-trifluoro-4-phenyl-3-buten-2-one

Guidance literature:: With tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; copper(I) thiophene-2-carboxylate; trifuran-2-yl-phosphane; In tetrahydrofuran; at 50 ℃; for 18h;
DOI:10.1021/ja005613q