(2-Phenylethyl)phosphonic dichloride

Base Information

• Chemical Name: (2-Phenylethyl)phosphonic dichloride
• CAS No.: 55004-22-3
• Molecular Formula: C8H9Cl2OP
• Molecular Weight: 223.039
• DSSTox Substance ID: DTXSID00569480
• Wikidata: Q82456639

Synonyms:55004-22-3;SCHEMBL6824408;DTXSID00569480;(2-Phenylethyl)phosphonic dichloride

Chemical Property of (2-Phenylethyl)phosphonic dichloride

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 221.9768073
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCP(=O)(Cl)Cl

Technology Process of (2-Phenylethyl)phosphonic dichloride

There total 2 articles about (2-Phenylethyl)phosphonic dichloride 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%

(2-phenylethyl)phosphonic acid (4672-30-4) → 2-phenylethyl phosphorodichloridate (55004-22-3)

Guidance literature:

With phosphorus pentachloride; In chloroform; 1.) 0 deg C, 30 min, 2.) RT, 2 h;

DOI:10.1021/jm00148a008

Reference yield:

2-phenylethanol (60-12-8) → 2-phenylethyl phosphorodichloridate (55004-22-3)

Guidance literature:

Multistep reaction; (i) PCl₅, benzene, (ii) SO₂;

Reference yield: 90.0%

2-phenylethyl phosphorodichloridate (55004-22-3) + phenol (108-95-2,27073-41-2) → (2-phenylethyl)phosphonic acid diphenyl ester (14295-48-8)

Guidance literature:

With N-ethylmorpholine;; In tetrahydrofuran; 1.) RT, 2 h, 2.) 50 deg C, 2 h;

DOI:10.1021/jm00148a008

upstream raw materials:

2-phenylethanol

(2-phenylethyl)phosphonic acid

Downstream raw materials:

diisopropyl 2-phenylethylphosphonate

C₁₆H₂₀O₅P₂

(2-phenylethyl)phosphonic acid diphenyl ester

Cyclohexyl-phenethylphosphonochloridat

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