4-Chlorophenyl methylphenylphosphinate

Base Information

• Chemical Name: 4-Chlorophenyl methylphenylphosphinate
• CAS No.: 80751-37-7
• Molecular Formula: C13H12 Cl O2 P
• Molecular Weight: 266.66
• DSSTox Substance ID: DTXSID801001459
• Mol file: 80751-37-7.mol

Synonyms:80751-37-7;4-Chlorophenyl methylphenylphosphinate;Phosphinic acid, methylphenyl-, 4-chlorophenyl ester;DTXSID801001459;4-CHLOROPHENYL METHYL(PHENYL)PHOSPHINATE

Chemical Property of 4-Chlorophenyl methylphenylphosphinate

Chemical Property:

• Vapor Pressure: 3.33E-05mmHg at 25°C
• Boiling Point: 365.3°C at 760 mmHg
• Flash Point: 258.6°C
• PSA: 36.11000
• Density: 1.26g/cm³
• LogP: 3.95220
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 266.0263443
• Heavy Atom Count: 17
• Complexity: 281

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CP(=O)(C1=CC=CC=C1)OC2=CC=C(C=C2)Cl

Technology Process of 4-Chlorophenyl methylphenylphosphinate

There total 3 articles about 4-Chlorophenyl methylphenylphosphinate 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:

methyl(phenyl)phosphinic chloride (5761-97-7) + 4-chloro-phenol (106-48-9,82344-39-6) → 4-chlorophenylmethylphenylphosphinate (80751-37-7)

Guidance literature:

With triethylamine; In diethyl ether; for 24h; Ambient temperature;

Reference yield:

methylphenylphosphinic acid (4271-13-0) → 4-chlorophenylmethylphenylphosphinate (80751-37-7)

Guidance literature:

Multi-step reaction with 2 steps

1: PCl₅ / 1 h / 120 °C

2: Et₃N / diethyl ether / 48 h / 20 °C

With phosphorus pentachloride; triethylamine; In diethyl ether;

DOI:10.1039/b501537e

Reference yield:

methyl methylphenylphosphinate (6389-79-3) → 4-chlorophenylmethylphenylphosphinate (80751-37-7)

Guidance literature:

Multi-step reaction with 3 steps

1: aq. HCl

2: PCl₅ / 1 h / 120 °C

3: Et₃N / diethyl ether / 48 h / 20 °C

With hydrogenchloride; phosphorus pentachloride; triethylamine; In diethyl ether;

DOI:10.1039/b501537e

upstream raw materials:

methyl(phenyl)phosphinic chloride

4-chloro-phenol

methylphenylphosphinic acid

methyl methylphenylphosphinate

Refernces

• 1、 Li, Yingchun,Aubert, Sarah D.,Maes, Eugene G.,Raushel, Frank M.. "Enzymatic resolution of chiral phosphinate esters". . p. 8888 - 8889. Retrieved 2007/10/03.