Phosphonic acid, P-phenyl-, bis(1-methylpropyl) ester

Base Information

• Chemical Name: Phosphonic acid, P-phenyl-, bis(1-methylpropyl) ester
• CAS No.: 2783-48-4
• Molecular Formula: C14H23 O3 P
• Molecular Weight: 270.309
• Hs Code.: 2931900090
• European Community (EC) Number: 621-193-3
• DSSTox Substance ID: DTXSID00883890
• Nikkaji Number: J421.635K
• Mol file: 2783-48-4.mol

Synonyms:2783-48-4;Phosphonic acid, P-phenyl-, bis(1-methylpropyl) ester;Phosphonic acid, phenyl-, bis(1-methylpropyl) ester;di-sec-butyl phenylphosphonate;di(butan-2-yloxy)phosphorylbenzene;SCHEMBL778444;DTXSID00883890;AKOS024334281;Phenylphosphonic acid bis(1-methylpropyl) ester

Chemical Property of Phosphonic acid, P-phenyl-, bis(1-methylpropyl) ester

Chemical Property:

• Vapor Pressure: 0.000202mmHg at 25°C
• Boiling Point: 337.7°Cat760mmHg
• Flash Point: 171.8°C
• PSA: 45.34000
• Density: 1.03g/cm³
• LogP: 4.13520
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 270.13848159
• Heavy Atom Count: 18
• Complexity: 258

Purity/Quality:

99% ^*data from raw suppliers

DI-SEC-BUTYL PHENYLPHOSPHONATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(C)OP(=O)(C1=CC=CC=C1)OC(C)CC

Technology Process of Phosphonic acid, P-phenyl-, bis(1-methylpropyl) ester

There total 3 articles about Phosphonic acid, P-phenyl-, bis(1-methylpropyl) ester 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: 95.0%

P,P-dichlorophenylphosphine oxide (824-72-6) + iso-butanol (78-92-2,15892-23-6) → di-sec-butyl phenylphosphonate (2783-48-4)

Guidance literature:

With pyridine; In benzene; Ambient temperature;

Reference yield:

P,P-dichlorophenylphosphine oxide (824-72-6) + methanol (67-56-1) + iso-butanol (78-92-2,15892-23-6) → di-sec-butyl phenylphosphonate (2783-48-4) + methyl sec-butyl phenylphosphonate (108229-14-7) + dimethyl phenylphosphonate (2240-41-7)

Guidance literature:

With pyridine; In benzene; Ambient temperature;

Reference yield:

Acetyl-phosphonic acid di-sec-butyl ester (22950-56-7) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → di-sec-butyl phenylphosphonate (2783-48-4)

Guidance literature:

Irradiation;

DOI:10.1021/jo00828a010

upstream raw materials:

P,P-dichlorophenylphosphine oxide

iso-butanol

Acetyl-phosphonic acid di-sec-butyl ester

benzene

Downstream raw materials:

2-tosyloxybutane

Phenylphosphonsaeure-mono-sec-butylester

phenylphosphonate