Diethyl [3-(diphenylphosphanyl)propyl]phosphonate

Base Information

• Chemical Name: Diethyl [3-(diphenylphosphanyl)propyl]phosphonate
• CAS No.: 87213-51-2
• Molecular Formula: C19H26O3P2
• Molecular Weight: 364.361
• DSSTox Substance ID: DTXSID30710746
• Nikkaji Number: J1.741.214K
• Wikidata: Q82646137

Synonyms:87213-51-2;Diethyl [3-(diphenylphosphanyl)propyl]phosphonate;SCHEMBL11145717;DTXSID30710746

Chemical Property of Diethyl [3-(diphenylphosphanyl)propyl]phosphonate

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 364.13571868
• Heavy Atom Count: 24
• Complexity: 349

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(CCCP(C1=CC=CC=C1)C2=CC=CC=C2)OCC

Technology Process of Diethyl [3-(diphenylphosphanyl)propyl]phosphonate

There total 3 articles about Diethyl [3-(diphenylphosphanyl)propyl]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: 94.0%

diethyl 3-(bromopropyl)phosphonic acid (1186-10-3) + diphenylphosphane (829-85-6) → 1-diethylphosphonato-3-(diphenylphosphino)propane (87213-51-2)

Guidance literature:

diphenylphosphane; With n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃; for 30h;

diethyl 3-(bromopropyl)phosphonic acid; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 2.33333h;

DOI:10.1039/b607479k

Reference yield: 91.0%

Diethyl allylphosphonate (1067-87-4) + diphenylphosphane (829-85-6) → 1-diethylphosphonato-3-(diphenylphosphino)propane (87213-51-2)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); at 65 ℃; for 40h; Inert atmosphere; Schlenk technique;

DOI:10.1021/ic401232g

Reference yield: 86.0%

diethyl 3-(bromopropyl)phosphonic acid (1186-10-3) + potassium diphenylphosphine (15475-27-1,4346-39-8) → 1-diethylphosphonato-3-(diphenylphosphino)propane (87213-51-2)

Guidance literature:

In tetrahydrofuran; at 5 - 20 ℃; for 15h;

DOI:10.1016/S0022-328X(02)01144-0

upstream raw materials:

diethyl 3-(bromopropyl)phosphonic acid

potassium diphenylphosphine

diphenylphosphane

Diethyl allylphosphonate

Downstream raw materials:

1-[(2'R,5'R)-2',5'-dimethylphospholano]-3-(diphenylphosphino)propane

PtCl₂((C₆H₅)2P(CH₂)3PO(OCH₂CH₃)2)2

PtCl₂((C₆H₅)2P(CH₂)3PO(OCH₂CH₃)2)2*H₂O

Pd₂Cl₄((C₆H₅)2P(CH₂)3PO(OCH₂CH₃)2)2

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