(3,3,3-Trifluoroprop-1-en-1-yl)benzene

Base Information

Chemical Name:(3,3,3-Trifluoroprop-1-en-1-yl)benzene
CAS No.:74031-46-2
Molecular Formula:C₉H₇F₃
Molecular Weight:172.15
Hs Code.:
DSSTox Substance ID:DTXSID401261063
Nikkaji Number:J1.647.999C,J753.989D

Synonyms:(3,3,3-trifluoroprop-1-en-1-yl)benzene;705-89-5;beta-Trifluoromethylstyrene;SCHEMBL115403;(e)-beta-trifluoromethylstyrene;SCHEMBL9800772;HKADMMFLLPJEAG-VOTSOKGWSA-;HKADMMFLLPJEAG-VOTSOKGWSA-N;(E)-beta-(Trifluoromethyl)styrene;DTXSID401261063;[(1E)-3,3,3-trifluoro-1-propenyl]benzene;[(E)-3,3,3-trifluoro-prop-1-enyl]-benzene;[(1E)-3,3,3-Trifluoro-1-propen-1-yl]benzene;InChI=1/C9H7F3/c10-9(11,12)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+;74031-46-2

Suppliers and Price of (3,3,3-Trifluoroprop-1-en-1-yl)benzene

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of (3,3,3-Trifluoroprop-1-en-1-yl)benzene

Chemical Property:

Boiling Point:165 °C
PSA：0.00000
Density:1.172±0.06 g/cm3(Predicted)
LogP:3.26210
XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:172.04998471
Heavy Atom Count:12
Complexity:152

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C=CC(F)(F)F
Isomeric SMILES:C1=CC=C(C=C1)/C=C/C(F)(F)F

Technology Process of (3,3,3-Trifluoroprop-1-en-1-yl)benzene

There total 87 articles about (3,3,3-Trifluoroprop-1-en-1-yl)benzene 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: 99.0%

: 42599-24-6
E-styryl iodide

: 81290-20-2
(trifluoromethyl)trimethylsilane

: 705-89-5,74031-42-8,74031-46-2
(E)-3,3,3-trifluoro-1-phenylpropene

Guidance literature:: With potassium fluoride; copper(l) iodide; In 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; at 80 ℃; for 16h;
DOI:10.1002/adsc.201100528

Reference yield: 92.0%

: 108-86-1,52753-63-6
bromobenzene

: 381-98-6
trifluoromethyacrylic acid

: 705-89-5,74031-42-8,74031-46-2
(E)-3,3,3-trifluoro-1-phenylpropene

Guidance literature:: With palladium diacetate; potassium carbonate; copper(II) oxide; In 1-methyl-pyrrolidin-2-one; at 130 ℃; for 15h; Reagent/catalyst; Temperature; Time; Inert atmosphere;
DOI:10.1021/acs.orglett.5b00551

Reference yield: 89.0%

: 887144-94-7
Togni's reagent II

: 201852-49-5
potassium (E)-trifluoro(styryl)borate

: 705-89-5,74031-42-8,74031-46-2
(E)-3,3,3-trifluoro-1-phenylpropene

Guidance literature:: With iron(II) chloride; In acetonitrile; at 20 ℃; for 24h; optical yield given as %de; stereoselective reaction; Inert atmosphere;
DOI:10.1002/anie.201108267