Bis[4-(3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl)phenyl]phenylphosphine

Base Information

• Chemical Name: Bis[4-(3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl)phenyl]phenylphosphine
• CAS No.: 322647-83-6
• Molecular Formula: C₃₂H₁₇F₂₆P
• Molecular Weight: 926.419
• European Community (EC) Number: 620-641-5
• DSSTox Substance ID: DTXSID10442957
• Nikkaji Number: J1.481.526K
• Wikidata: Q82260588
• Mol file: 322647-83-6.mol

Synonyms:322647-83-6;Bis[4-(3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl)phenyl]phenylphosphine;bis[4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]phenyl]-phenylphosphane;Bis(4-(3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl)phenyl)(phenyl)phosphine;Bis{4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]phenyl}(phenyl)phosphane;Bis[4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]phenyl](phenyl)phosphane;SCHEMBL6888317;DTXSID10442957;JKFFEJFWOMHYDX-UHFFFAOYSA-N;J-018691;Phenylbis[4-[2,2-bis(trifluoromethyl)-3,3,4,4,5,5,5-heptafluoropentyl]phenyl]phosphine;Bis[4-(3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl)phenyl]phenylphosphine, >=90.0%

Chemical Property of Bis[4-(3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl)phenyl]phenylphosphine

Chemical Property:

• Vapor Pressure: 6.54E-08mmHg at 25°C
• Refractive Index: n20/D 1.459
• Boiling Point: 451.4°C at 760 mmHg
• Flash Point: 226.8°C
• PSA: 13.59000
• LogP: 12.41760
• XLogP3: 14.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 26
• Rotatable Bond Count: 11
• Exact Mass: 926.0652698
• Heavy Atom Count: 59
• Complexity: 1250

Purity/Quality:

98%Min ^*data from raw suppliers

Bis[4-(3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl)phenyl]phenylphosphine ≥90.0% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of Bis[4-(3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl)phenyl]phenylphosphine

There total 3 articles about Bis[4-(3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl)phenyl]phenylphosphine 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: 68.0%

Dichlorophenylphosphine (644-97-3) + 4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]-1-bromobenzene (149068-60-0) → phenylbis[4-(3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl)phenyl]phosphane (322647-83-6) + phenylbis[4-(3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl)phenyl]phosphine oxide

Guidance literature:

4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]-1-bromobenzene; With tert.-butyl lithium; In diethyl ether; pentane; at -78 ℃;

Dichlorophenylphosphine; In diethyl ether; pentane; at -78 - 20 ℃;

DOI:10.1021/jo000464f

Reference yield:

perfluoro-2-methylpent-2-ene (1584-03-8) → phenylbis[4-(3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl)phenyl]phosphane (322647-83-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: cesium fluoride / dimethylformamide / 36 h / 45 °C

1.2: 89 percent / dimethylformamide / 14 h / 65 °C

2.1: t-BuLi / diethyl ether; pentane / -78 °C

2.2: 68 percent / diethyl ether; pentane / -78 - 20 °C

With tert.-butyl lithium; cesium fluoride; In diethyl ether; N,N-dimethyl-formamide; pentane;

DOI:10.1021/jo000464f

Reference yield:

4-bromobenzyliodide (55883-45-9) → phenylbis[4-(3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl)phenyl]phosphane (322647-83-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: cesium fluoride / dimethylformamide / 36 h / 45 °C

1.2: 89 percent / dimethylformamide / 14 h / 65 °C

2.1: t-BuLi / diethyl ether; pentane / -78 °C

2.2: 68 percent / diethyl ether; pentane / -78 - 20 °C

With tert.-butyl lithium; cesium fluoride; In diethyl ether; N,N-dimethyl-formamide; pentane;

DOI:10.1021/jo000464f

upstream raw materials:

Dichlorophenylphosphine

4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]-1-bromobenzene

perfluoro-2-methylpent-2-ene

4-bromobenzyliodide

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