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Home > Encyclopedia > TRIS(4-TRIFLUOROMETHYLPHENYL)PHOSPHINE

TRIS(4-TRIFLUOROMETHYLPHENYL)PHOSPHINE

TRIS(4-TRIFLUOROMETHYLPHENYL)PHOSPHINE structure

TRIS(4-TRIFLUOROMETHYLPHENYL)PHOSPHINE 

structure
  • CAS No:

    13406-29-6

  • Formula:

    C21H12F9P

  • Chemical Name:

    TRIS(4-TRIFLUOROMETHYLPHENYL)PHOSPHINE

  • Synonyms:

    TRIS(P-TRIFLUOROMETHYLPHENYL)BENZENE;TRIS(P-TRIFLUOROMETHYLPHENYL)PHOSPHINE;TRIS(4-TRIFLUOROMETHYLPHENYL)PHOSPHINE;Phosphine, tris(alpha,alpha,alpha-trifluoro-p-tolyl)-;Trisptrifluoromethylphenylphosphineminpaleyellowpowder;Tris(p-trifluoromethylphenyl)phosphine,min.97%;Tris[4-(trifluoromethyl)phenyl]phosphine 98%;Tris[4-(trifluoromethyl)phenyl]phosphine98%

  • Categories:

    Organic Chemistry  >  Phosphines

TRIS(4-TRIFLUOROMETHYLPHENYL)PHOSPHINE Basic Attributes

466.28

466.053284

29319090

Characteristics

0

7.3

Clear Liquid

70-75 °C

382.8°C at 760 mmHg

185.3±27.9 °C

Insoluble in water.

1.01E-05mmHg at 25°C

Safety Information

IRRITANT

NONH for all modes of transport

36/37/38

26-37/39

Xi

Irritant

P261-P305 + P351 + P338

H315-H319-H335-H413

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

TRIS(4-TRIFLUOROMETHYLPHENYL)PHOSPHINE Use and Manufacturing

General procedure: Triphenylphosphine oxide or sulfide (1 mmol), dry hexane (1 mL), and Ic (1 mmol) were added to a Schlenk tube under the atmosphere of nitrogen. The reaction was carried out at room temperature for 10 min and monitored by TLC. Upon completion of the process the reaction mixture was filtered by silica gel and washed several times with ethyl acetate. Ethyl acetate was evaporated and the residue purified by flash chromatography on silica gel with pure cyclohexane toafford the desired phosphine. The yield was determined by GC without additional purification.PREPARATION OF TRIS(4-TRIFLUOROMETHYLPHENYL)PHOSPHINE (R=4-trifluomethylphenyl) Complex 1a (52.5 mg, 0.0500 mmol) and PAr(p-CF3)3 (46.9 mg, 0.100 mmol) were dissolved in THF(1 mL) at room temperature, and the mixture was stirred for 5 min to give an orange-red solution.Hexane (4 mL) was then added to the obtained solution, and the solution was stored at -30 C. Orangecrystals were obtained in a 57% yield (63.7 mg) after filtration. 1H-NMR (C6D6): delta 11.0 (brs), 8.4 (brs), 4.5 (brs), 1.8 (brs). 19F-NMR (C6D6): delta -53.6. Anal. calcd. for C48H48N2F9PNiBr: C 58.03%, H 4.87%, N2.82%; Found: C 58.48%, H 4.48%, N 2.72%.10 mg of 2, 2'-oxybis(ethane-2, 1-diyl)bis(4-methylbenzenesulfonate) prepared in Example 1-2 was reacted with silane coupling agent K18F in an acetonitrile solvent to give 2 - (2- [18F] fluoroethoxy) ethyl 4-methylbenzenesulfonate was synthesized and isolated using a disposable cartridge.Thereafter, 13 mg of tris(4-(trifluoromethyl)phenyl)phosphine was added to the labeled compound, and the mixture was heated to obtain (2- (18F) fluoroethoxy) ethyl) tris Phenyl) phosphonium salt was synthesized. After cooling the synthesized (2-(2-[18F]fluoroethoxy)ethyl)tris(4-(trifluoromethyl)phenyl)phosphonium salt at room temperature and separating and purifying it using a quasi-purification column Respectively.

Computed Properties

Molecular Weight:466.3
XLogP3:7.3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:466.05329084
Monoisotopic Mass:466.05329084
Heavy Atom Count:31
Complexity:478
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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