Bis(3,5-di(trifluoromethyl)phenyl)phosphine

Base Information

• Chemical Name: Bis(3,5-di(trifluoromethyl)phenyl)phosphine
• CAS No.: 166172-69-6
• Molecular Formula: C16H7 F12 P
• Molecular Weight: 458.186
• European Community (EC) Number: 634-091-9
• DSSTox Substance ID: DTXSID70408397
• Nikkaji Number: J1.862.807D
• Wikidata: Q82213869
• Mol file: 166172-69-6.mol

Synonyms:Bis(3,5-di(trifluoromethyl)phenyl)phosphine;166172-69-6;Bis[3,5-bis(trifluoromethyl)phenyl]phosphane;Bis[3,5-bis(trifluoromethyl)phenyl]phosphine;Phosphine, bis[3,5-bis(trifluoromethyl)phenyl]-;bis(3,5-ditrifluoromethylphenyl)phosphine;bis(3,5-bis(trifluoromethyl)phenyl)phosphine;SCHEMBL1451692;DTXSID70408397;OTQIBIWGQUJMOM-UHFFFAOYSA-N;MFCD01630858;AKOS015910927;CS-0108745;FT-0722747;J-010261

Chemical Property of Bis(3,5-di(trifluoromethyl)phenyl)phosphine

Chemical Property:

• Melting Point: 69-73oC
• PSA: 13.59000
• LogP: 6.39110
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 2
• Exact Mass: 458.0093752
• Heavy Atom Count: 29
• Complexity: 454

Purity/Quality:

98% ^*data from raw suppliers

Bis(3,5-di(trifluoromethyl)phenyl)phosphine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C(F)(F)F)PC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(F)(F)F

Technology Process of Bis(3,5-di(trifluoromethyl)phenyl)phosphine

There total 8 articles about Bis(3,5-di(trifluoromethyl)phenyl)phosphine 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: 95.0%

bis(3,5-di(trifluoromethyl)phenyl)chlorophosphine (142421-57-6) → bis(3,5-bis(trifluoromethyl)phenyl)phosphine (166172-69-6)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether;

DOI:10.1016/S0022-328X(00)00845-7

Reference yield: 94.0%

C22H20F12NP (1448856-85-6) → bis(3,5-bis(trifluoromethyl)phenyl)phosphine (166172-69-6)

Guidance literature:

C₂₂H₂₀F₁₂NP; With hydrogenchloride; In diethyl ether; at 0 - 20 ℃; for 1h;

With lithium aluminium tetrahydride; In diethyl ether; at -78 ℃; for 2h; Reflux;

DOI:10.1002/anie.201206297

Reference yield: 84.0%

bis[3,5-bis(trifluoromethyl) phenyl]phosphine oxide (15979-14-3) → bis(3,5-bis(trifluoromethyl)phenyl)phosphine (166172-69-6)

Guidance literature:

With diisobutylaluminium hydride; In tetrahydrofuran; at 20 ℃; for 0.5h;

DOI:10.1039/c9cc06446j

upstream raw materials:

bis(3,5-di(trifluoromethyl)phenyl)chlorophosphine

bis[3,5-bis(trifluoromethyl) phenyl]phosphine oxide

3,6-bis(trifluoromethyl)bromobenzene

C₂₂H₂₀F₁₂NP

Downstream raw materials:

C₂₄H₁₄F₁₅NP⁽¹⁺⁾*BF₄^(1-)

1,3-bis[bis[3,5-bis(trifluoromethyl)phenyl]phosphino]propane

C₄₀H₄₀F₁₂FeP₂

Refernces

• 1、 Yang, Xuan,Kong, Wei-Yu,Gao, Jia-Ni,Cheng, Li,Li, Nan-Nan,Li, Meng,Li, Hui-Ting,Fan, Jun,Gao, Jin-Ming,Ouyang, Qin,Xie, Jian-Bo. "Rhodium catalyzed C-C bond cleavage/coupling of 2-(azetidin-3-ylidene)acetates and analogs". supporting information. p. 12707 - 12710. Retrieved 2019/10/28.
• 2、 Metters, Owen J.,Flynn, Stephanie R.,Dowds, Christiana K.,Sparkes, Hazel A.,Manners, Ian,Wass, Duncan F.. "Catalytic Dehydrocoupling of Amine-Boranes using Cationic Zirconium(IV)-Phosphine Frustrated Lewis Pairs". . p. 6601 - 6611. Retrieved 2016/10/14.