Diethyl [4-(diphenylphosphanyl)phenyl]phosphonate

Base Information

• Chemical Name: Diethyl [4-(diphenylphosphanyl)phenyl]phosphonate
• CAS No.: 169052-23-7
• Molecular Formula: C22H24O3P2
• Molecular Weight: 398.378
• DSSTox Substance ID: DTXSID00570415
• Nikkaji Number: J846.616E
• Wikidata: Q82457840
• Mol file: 169052-23-7.mol

Synonyms:169052-23-7;Diethyl [4-(diphenylphosphanyl)phenyl]phosphonate;SCHEMBL7459362;DTXSID00570415;VQBIFSAYLPRRFI-UHFFFAOYSA-N;diethyl 4-diphenylphosphinophenylphosphonate

Chemical Property of Diethyl [4-(diphenylphosphanyl)phenyl]phosphonate

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 398.12006862
• Heavy Atom Count: 27
• Complexity: 436

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3)OCC

Technology Process of Diethyl [4-(diphenylphosphanyl)phenyl]phosphonate

There total 6 articles about Diethyl [4-(diphenylphosphanyl)phenyl]phosphonate 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: 62.0%

phosphonic acid diethyl ester (762-04-9) + (4-bromophenyl)diphenylphosphane (734-59-8) → (4-diethylphosphono)phenyl-diphenylphosine (169052-23-7)

Guidance literature:

With triethylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In toluene; at 80 ℃; for 50h;

DOI:10.1002/(SICI)1099-0682(199807)1998:7<1029::AID-EJIC1029>3.0.CO;2-7

Reference yield: 62.0%

diethyl chlorophosphate (814-49-3) + (4-bromophenyl)diphenylphosphane (734-59-8) → (4-diethylphosphono)phenyl-diphenylphosine (169052-23-7)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; -70 deg C to r.t.;

DOI:10.1039/c39950001487

Reference yield: 54.5%

diethyl (4-fluorophenyl)phosphonate (310-40-7) + potassium diphenylphosphine (15475-27-1,4346-39-8) → (4-diethylphosphono)phenyl-diphenylphosine (169052-23-7)

Guidance literature:

In tetrahydrofuran; Ambient temperature;

DOI:10.1002/(SICI)1099-0682(199807)1998:7<1029::AID-EJIC1029>3.0.CO;2-7

upstream raw materials:

diethyl chlorophosphate

(4-bromophenyl)diphenylphosphane

phosphonic acid diethyl ester

diethyl (4-fluorophenyl)phosphonate

Downstream raw materials:

[PtCl₂((C₆H₅)2PC₆H₄PO(OC₂H₅)2)2]

PtCl₂((C₆H₅)2PC₆H₄PO(OCH₂CH₃)2)2

[PdCl₂((C₆H₅)2PC₆H₄PO(OC₂H₅)2)2]

[PdCl₂((C₆H₅)2PC₆H₄PO(OC₂H₅)2)2]