Dicyclohexyl(2-(2-methyl-1,3-dioxolan-2-yl)phenyl)phosphine

Base Information

• Chemical Name: Dicyclohexyl(2-(2-methyl-1,3-dioxolan-2-yl)phenyl)phosphine
• CAS No.: 221187-50-4
• Molecular Formula: C22H33O2P
• Molecular Weight: 360.477
• Hs Code.: 2932999099
• European Community (EC) Number: 693-022-0
• DSSTox Substance ID: DTXSID00454463
• Nikkaji Number: J1.038.157F
• Wikidata: Q72468696
• Mol file: 221187-50-4.mol

Synonyms:221187-50-4;Dicyclohexyl(2-(2-methyl-1,3-dioxolan-2-yl)phenyl)phosphine;2'-(Dicyclohexylphosphino)acetophenone ethylene ketal;Dicyclohexyl-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phosphane;SCHEMBL6131405;DTXSID00454463;Phosphine, dicyclohexyl[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]-;AKOS015900194;CS-W009786;SC11179;F74223;2?(Dicyclohexylphosphino)acetophenone ethylene ketal;J-014522;2'-(Dicyclohexylphosphino)acetophenone ethylene ketal, 97%;2-[2-(Dicyclohexylphosphino)phenyl]-2-methyl-1,3-dioxolane;DICYCLOHEXYL[2-(2-METHYL-1,3-DIOXOLAN-2-YL)PHENYL]PHOSPHANE;2'-(DICYCLOHEXYLPHOSPHINO)ACETOPHENONE ETHYLENE KETAL;2-(2'-DICYCLOHEXYLPHOSPHINOPHENYL)-2-METHYL-1,3-DIOXOLANE;DICYCLOHEXYL(2-(2-METHYL-1,3-DIOXOLAN-2-YL)PHENYL)PHOSPHINE

Chemical Property of Dicyclohexyl(2-(2-methyl-1,3-dioxolan-2-yl)phenyl)phosphine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 85-92 °C
• Boiling Point: 485.365 °C at 760 mmHg
• Flash Point: 308.819 °C
• PSA: 32.05000
• LogP: 5.67870
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 360.22181729
• Heavy Atom Count: 25
• Complexity: 390

Purity/Quality:

98%,99%, ^*data from raw suppliers

2′-(Dicyclohexylphosphino)acetophenone ethylene ketal 97% ^*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: CC1(OCCO1)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4
• Uses: Cocatalyst for:Palladium-catalyzed amination reactionsPalladium/P,O-Ligand-catalyzed Suzuki cross-coupling

Technology Process of Dicyclohexyl(2-(2-methyl-1,3-dioxolan-2-yl)phenyl)phosphine

There total 1 articles about Dicyclohexyl(2-(2-methyl-1,3-dioxolan-2-yl)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: 71.0%

n-butyllithium (109-72-8,29786-93-4) + 2-(2-bromophenyl)-2-methyl-1,3-dioxolane (50777-64-5) + argon + chlorodicyclohexylphosphane (16523-54-9) → 2’-(dicyclohexylphosphino)acetophenone ethylene ketal (221187-50-4)

Guidance literature:

In diethyl ether; hexane; water;

Reference yield:

(Pd[P(o-tolyl)3](4-(t)Bu-C6H4)(μ-Br))2 (176780-03-3,164927-39-3) + 2’-(dicyclohexylphosphino)acetophenone ethylene ketal (221187-50-4) → (2-(2-dicyclohexylphosphinophenyl)-2-methyl-1,3-dioxolane)Pd(4-(t)Bu-C6H4)(Br) (226089-06-1)

Guidance literature:

In dichloromethane; Ar-atmosphere; excess of P-ligand; stirring (room temp., 3 h); filtration; concg.; layered with heptane; crystn. (room temp., 12 h);

DOI:10.1021/om9900162

upstream raw materials:

n-butyllithium

2-(2-bromophenyl)-2-methyl-1,3-dioxolane

chlorodicyclohexylphosphane

Downstream raw materials:

(2-(2-dicyclohexylphosphinophenyl)-2-methyl-1,3-dioxolane)Pd(4-(t)Bu-C₆H₄)(Br)

Refernces