1,2-Bis[bis(pentafluorophenyl)phosphino]ethane

Base Information

• Chemical Name: 1,2-Bis[bis(pentafluorophenyl)phosphino]ethane
• CAS No.: 76858-94-1
• Molecular Formula: C26H4F20P2
• Molecular Weight: 758.233
• Hs Code.: 29319090
• European Community (EC) Number: 670-889-3
• DSSTox Substance ID: DTXSID30370364
• Nikkaji Number: J1.130.996H
• Wikidata: Q72445324
• Mol file: 76858-94-1.mol

Synonyms:76858-94-1;1,2-Bis(dipentafluorophenylphosphino)ethane;1,2-Bis[bis(pentafluorophenyl)phosphino]ethane;1,2-Bis(bis(perfluorophenyl)phosphino)ethane;2-bis(2,3,4,5,6-pentafluorophenyl)phosphanylethyl-bis(2,3,4,5,6-pentafluorophenyl)phosphane;{2-[BIS(2,3,4,5,6-PENTAFLUOROPHENYL)PHOSPHANYL]ETHYL}BIS(2,3,4,5,6-PENTAFLUOROPHENYL)PHOSPHANE;C26H4F20P2;SCHEMBL301019;DTXSID30370364;MFCD00058841;AKOS015913084;CS-W013780;SC11244;AS-66210;Ethylenebis[bis(pentafluorophenyl)phosphine];B3428;FT-0606309;BIS(DIPENTAFLUOROPHENYLPHOSPHINE)ETHANE;T71322;A838872;(Ethane-1,2-diyl)bis[bis(pentafluorophenyl)phosphane]

Chemical Property of 1,2-Bis[bis(pentafluorophenyl)phosphino]ethane

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Melting Point: 192-195 °C(lit.)
• Boiling Point: 494.2 °C at 760 mmHg
• Flash Point: 252.7 °C
• PSA: 27.18000
• LogP: 8.03420
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Water Solubility.: Insoluble in water.
• XLogP3: 7.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 7
• Exact Mass: 757.9468874
• Heavy Atom Count: 48
• Complexity: 849

Purity/Quality:

99% ^*data from raw suppliers

1,2-Bis[bis(pentafluorophenyl)phosphino]ethane >97.0%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CP(C1=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F)P(C3=C(C(=C(C(=C3F)F)F)F)F)C4=C(C(=C(C(=C4F)F)F)F)F
• Uses: It finds it application as a pharmaceutical intermediate and intermediate in organic syntheses.

Technology Process of 1,2-Bis[bis(pentafluorophenyl)phosphino]ethane

There total 2 articles about 1,2-Bis[bis(pentafluorophenyl)phosphino]ethane 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: 90.0%

1,2-bis(dipentafluorophenylphosphinyl)ethane → 1,2-bis(di(pentafluorophenyl)phosphino)ethane (76858-94-1)

Guidance literature:

With trichlorosilane; triethyl phosphite; In tetrahydrofuran; toluene; at 100 ℃; for 3.5h;

DOI:10.1021/ol048227c

Reference yield:

bromopentafluorobenzene (344-04-7) + 1,2-bis(dichlorophosphino)ethane (28240-69-9) → 1,2-bis(di(pentafluorophenyl)phosphino)ethane (76858-94-1)

Guidance literature:

With hydrogenchloride; n-butyllithium; Yield given. Multistep reaction; 1) hexane, Et₂O, 10 min; 2) hexane, Et₂O, 20 deg C, 2 h;

DOI:10.1039/DT9850001131

Reference yield: 99.0%

dodecacarbonyl-triangulo-triruthenium (15243-33-1) + 1,2-bis(di(pentafluorophenyl)phosphino)ethane (76858-94-1) → Ru3(CO)10(1,2-bis(bis-pentafluorophenylphosphino)ethane) (225779-93-1,225779-94-2)

Guidance literature:

With catalyst:Ph₂CO^(1-); In tetrahydrofuran; catalyst (8 drops) added to THF soln. of Ru compd. (0.078 mmol), ligand (0.086 mmol) added, stirred, catalyst (8-10 drops added), TLC conrol;

DOI:10.1016/j.jorganchem.2009.01.033

upstream raw materials:

bromopentafluorobenzene

1,2-bis(dichlorophosphino)ethane

Downstream raw materials:

(1,2-bis(bis(pentafluorophenyl)phosphino)ethane)tetracarbonylmolybdenum

{bis(bis(pentafluorophenyl)phosphino)ethane}Cr(CO)4

(1,2-bis(bis(pentafluorophenyl)phosphino)ethane)dichloroplatinum(II)

(((C₆F₅)2PCH₂)2)2Pt

Refernces

• 1、 -. "Antitumor pharmaceutical compositions and methods for treating tumors employing α,ω-bis(disubstitutedphosphino)hydrocarbon derivatives or [α, ω-bis(disubstitutedphosphino)hydrocarbon] di". . . Retrieved 2008/06/13.