Phosphine oxide, (4-methoxyphenyl)diphenyl-

Base Information

• Chemical Name: Phosphine oxide, (4-methoxyphenyl)diphenyl-
• CAS No.: 795-44-8
• Molecular Formula: C19H17O2P
• Molecular Weight: 308.317
• DSSTox Substance ID: DTXSID50441207
• Nikkaji Number: J305.678C
• Wikidata: Q82257867
• Mol file: 795-44-8.mol

Synonyms:Phosphine oxide, (4-methoxyphenyl)diphenyl-;795-44-8;1-diphenylphosphoryl-4-methoxybenzene;SCHEMBL5619896;(p-Anisyl)diphenylphosphine oxide;DTXSID50441207;DZPSVIAXZXYZLT-UHFFFAOYSA-N;(4-methoxyphenyl)diphenylphosphine oxide;(4-methoxyphenyl)-diphenyl-phosphine oxide

Chemical Property of Phosphine oxide, (4-methoxyphenyl)diphenyl-

Chemical Property:

• PSA: 36.11000
• LogP: 3.33460
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 308.09661678
• Heavy Atom Count: 22
• Complexity: 353

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3

Technology Process of Phosphine oxide, (4-methoxyphenyl)diphenyl-

There total 49 articles about Phosphine oxide, (4-methoxyphenyl)diphenyl- 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: 100.0%

4-methoxyphenyl magnesium bromide (13139-86-1) + Diphenylphosphinic chloride (1499-21-4) → 4-(diphenylphosphoryl)benzonitrile (795-44-8)

Guidance literature:

In tetrahydrofuran; at 0 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1016/j.bmc.2020.115310

Reference yield: 97.0%

1-bromo-4-methoxy-benzene (104-92-7) + Diphenylphosphine oxide (4559-70-0) → 4-(diphenylphosphoryl)benzonitrile (795-44-8)

Guidance literature:

With [2,2]bipyridinyl; nickel(II) chloride hexahydrate; zinc; In water; at 70 ℃; for 15h;

DOI:10.1021/ol201141m

Reference yield: 97.0%

4-methoxyphenylboronic acid (5720-07-0) + Diphenylphosphine oxide (4559-70-0) → 4-(diphenylphosphoryl)benzonitrile (795-44-8)

Guidance literature:

With pyridine; potassium carbonate; nickel dibromide; In 1,2-dichloro-ethane; at 100 ℃; for 24h; Inert atmosphere;

DOI:10.1021/ol402672e

upstream raw materials:

1-bromo-4-methoxy-benzene

benzyldiphenylphosphine oxide

para-iodoanisole

diphenylphosphide ion

Downstream raw materials:

(4-methoxyphenyl)diphenylphosphane

(4-methoxyphenyl)diphenylphosphine sulfide

p-hydroxyphenyl(diphenyl)phosphine sulfide

p-hydroxyphenyl(diphenyl)phosphine selenide

Refernces

• 1、 Fang, Chao,Wei, Bangguo,Ma, Dawei. "Cu/Picolinamides-Catalyzed Coupling of (Hetero)aryl Halides with Secondary Phosphine Oxides and Phosphite?". supporting information. p. 2957 - 2961. Retrieved 2021/08/23.
• 2、 Henyecz, Réka,Huszár, Bianka,Keglevich, Gy?rgy,Mucsi, Zoltán. "Microwave assisted P–C coupling reactions without directly added P-ligands". . . Retrieved 2021/12/24.