Tris[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane

Base Information

• Chemical Name: Tris[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane
• CAS No.: 325459-92-5
• Molecular Formula: C₄₈H₂₄F₅₁P
• Molecular Weight: 1600.61
• DSSTox Substance ID: DTXSID10404732
• Nikkaji Number: J1.455.429G
• Wikidata: Q82209049
• Mol file: 325459-92-5.mol

Synonyms:325459-92-5;Tris[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane;Tris[4-(1H,1H,2H,2H-perfluorodecyl)phenyl]phosphine;Tris(4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl)phosphane;DTXSID10404732;NS00109163;Tris[4-[(perfluorooctyl)ethyl]phenyl]phosphane;J-018778;Tris[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphine, >97.0% (GC)

Chemical Property of Tris[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane

Chemical Property:

• Vapor Pressure: 6.99E-16mmHg at 25°C
• Melting Point: 95-98 °C
• Boiling Point: 646.3°C at 760 mmHg
• Flash Point: 344.7°C
• PSA: 13.59000
• LogP: 21.27080
• XLogP3: 23.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 51
• Rotatable Bond Count: 30
• Exact Mass: 1600.0801240
• Heavy Atom Count: 100
• Complexity: 2430

Purity/Quality:

98%Min ^*data from raw suppliers

TRIS[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-HEPTADECAFLUORODECYL)PHENYL]PHOSPHINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)P(C2=CC=C(C=C2)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C3=CC=C(C=C3)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Technology Process of Tris[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane

There total 4 articles about Tris[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]phosphane 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: 70.0%

1-(4'-bromophenyl)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane (195324-88-0) → tris[4-(3',3',4',4',5',5',6',6',7',7',8',8',9',9',10',10',10'-heptadecafluorodecyl)phenyl]phosphane (325459-92-5)

Guidance literature:

1-(4'-bromophenyl)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane; With n-butyllithium; In tetrahydrofuran; diethyl ether; at -30 ℃; for 0.0833333h;

With phosphorus trichloride; In tetrahydrofuran; diethyl ether; at 20 ℃; for 0.166667h; Further stages.;

DOI:10.1002/1099-0690(200103)2001:6<1121::AID-EJOC1121>3.0.CO;2-3

Reference yield:

2-(n-perfluorooctyl)ethyl iodide (2043-53-0,71215-70-8) → tris[4-(3',3',4',4',5',5',6',6',7',7',8',8',9',9',10',10',10'-heptadecafluorodecyl)phenyl]phosphane (325459-92-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: Mg / tetrahydrofuran / 24 h / 20 °C

1.2: 46 percent / [Cu(cod)Cl] / diethyl ether; tetrahydrofuran / -5 - 20 °C

2.1: tBuLi / tetrahydrofuran / -78 °C

2.2: 61 percent / PCl₃ / tetrahydrofuran / -78 - 20 °C

With tert.-butyl lithium; magnesium; In tetrahydrofuran;

Reference yield:

1.4-dibromobenzene (106-37-6) → tris[4-(3',3',4',4',5',5',6',6',7',7',8',8',9',9',10',10',10'-heptadecafluorodecyl)phenyl]phosphane (325459-92-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: Mg / tetrahydrofuran / 24 h / 20 °C

1.2: 46 percent / [Cu(cod)Cl] / diethyl ether; tetrahydrofuran / -5 - 20 °C

2.1: tBuLi / tetrahydrofuran / -78 °C

2.2: 61 percent / PCl₃ / tetrahydrofuran / -78 - 20 °C

With tert.-butyl lithium; magnesium; In tetrahydrofuran;

upstream raw materials:

1-(4'-bromophenyl)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane

2-(n-perfluorooctyl)ethyl iodide

1.4-dibromobenzene