5-Ethenyl-1,2,3-trifluorobenzene

Base Information

• Chemical Name: 5-Ethenyl-1,2,3-trifluorobenzene
• CAS No.: 159294-99-2
• Molecular Formula: C8H5 F3
• Molecular Weight: 158.123
• Hs Code.: 2903998090
• DSSTox Substance ID: DTXSID60570153
• Nikkaji Number: J2.122.679C
• Wikidata: Q82457510
• Mol file: 159294-99-2.mol

Synonyms:3,4,5-Trifluorostyrene;159294-99-2;5-Ethenyl-1,2,3-trifluorobenzene;Benzene, 5-ethenyl-1,2,3-trifluoro- (9CI);3,4,5-Trifluorovinylbenzene;SCHEMBL8728432;DTXSID60570153;SBZYGHMGBOZTOU-UHFFFAOYSA-N;1,2,3-Trifluoro-5-vinyl-benzene;MFCD18632531;AKOS006371017;Benzene, 5-ethenyl-1,2,3-trifluoro-;PS-10196;CS-0208983;EN300-1835415

Chemical Property of 5-Ethenyl-1,2,3-trifluorobenzene

Chemical Property:

• Boiling Point: 141.4±35.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.235±0.06 g/cm3(Predicted)
• LogP: 2.74690
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 158.03433465
• Heavy Atom Count: 11
• Complexity: 134

Purity/Quality:

99%min. ^*data from raw suppliers

3,4,5-Trifluorostyrene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC1=CC(=C(C(=C1)F)F)F

Technology Process of 5-Ethenyl-1,2,3-trifluorobenzene

There total 1 articles about 5-Ethenyl-1,2,3-trifluorobenzene 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: 83.0%

vinyl acetate (108-05-4,9003-20-7) + 3,4,5-trifluoro-1-bromobenzene (138526-69-9) → 1,2,3-trifluoro-5-vinylbenzene (159294-99-2)

Guidance literature:

With 1,3-bis[(diphenylphosphino)propane]dichloronickel(II); lithium iodide; zinc; at 65 ℃; for 8h; Inert atmosphere; Sealed tube; Green chemistry;

DOI:10.1021/acs.orglett.1c04018

Reference yield: 94.6%

trimethoxysilane (2487-90-3) + 1,2,3-trifluoro-5-vinylbenzene (159294-99-2) → (3,4,5-trifluorophenethyl)trimethoxysilane

Guidance literature:

With γ-Al2O3 supported polyethylene glycol complex cobalt catalyst; In toluene; at 90 ℃; for 6h; Temperature; Inert atmosphere;

Reference yield: 73.0%

1,2,3-trifluoro-5-vinylbenzene (159294-99-2) → 2-(3,4,5-trifluorophenyl)ethanol (886761-77-9)

Guidance literature:

1,2,3-trifluoro-5-vinylbenzene; With dimethylsulfide borane complex; In tetrahydrofuran; at 0 - 20 ℃; for 12h;

With dihydrogen peroxide; sodium hydroxide; In tetrahydrofuran; water; at 0 - 20 ℃; for 6h;

upstream raw materials:

vinyl acetate

3,4,5-trifluoro-1-bromobenzene

Downstream raw materials:

(S)-2-amino-2-(3,4,5-trifluorophenyl)ethanol

(S,E)-5-chloro-N-(2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl)-2-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene)pentanamide

(S,E)-1-(2-hydroxy-1-(3,4,5-trifluorophenyl)ethyl)-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene)piperidin-2-one

(S,E)-1-(2-(aminooxy)-1-(3,4,5-trifluorophenyl)ethyl)-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene)piperidin-2-one