Phenyl hydrogen phosphonate

Base Information

• Chemical Name: Phenyl hydrogen phosphonate
• CAS No.: 2310-89-6
• Molecular Formula: C6H6O3P+
• Molecular Weight: 158.094
• Hs Code.: 2915900090
• European Community (EC) Number: 218-998-3
• DSSTox Substance ID: DTXSID90945779
• Nikkaji Number: J213.186B
• Wikidata: Q27163038
• Mol file: 2310-89-6.mol

Synonyms:Phenyl hydrogen phosphonate;2310-89-6;hydroxy-oxo-phenoxyphosphanium;EINECS 218-998-3;Phosphonic acid, monophenyl ester;phenoxyphosphinic acid;phosphonic acid phenyl ester;SCHEMBL33156;phosphonic acid monophenyl ester;CHEBI:91048;DTXSID90945779;[Oxo(phenoxy)-lambda~5~-phosphanylidene]oxidanium;Q27163038

Chemical Property of Phenyl hydrogen phosphonate

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 80.67000
• Density: g/cm³
• LogP: 2.09530
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 157.00545605
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)O[P+](=O)O

Technology Process of Phenyl hydrogen phosphonate

There total 22 articles about Phenyl hydrogen 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: 81.0%

dmap (1122-58-3) + diphenyl hydrogen phosphite (4712-55-4) → phenyl hydrogen phosphonate (2310-89-6) + C13H15N2O4P

Guidance literature:

at 20 ℃;

DOI:10.1039/c5ra27465f

Reference yield: 75.0%

1-(benzyloxycarbonylamino)-2,2,2-trifluoroethanol (6798-33-0) + diphenyl hydrogen phosphite (4712-55-4) → phenyl hydrogen phosphonate (2310-89-6) + (1-benzyloxycarbonylamino-2,2,2-trifluoro-ethyl)-phosphonic acid diphenyl ester

Guidance literature:

With triethylamine; In 1,4-dioxane; at 20 ℃; for 1.5h;

DOI:10.1021/jo034229j

Reference yield: 66.0%

4-methoxypyridine N-oxide (1122-96-9) + diphenyl hydrogen phosphite (4712-55-4) → phenyl hydrogen phosphonate (2310-89-6) + C12H12NO5P

Guidance literature:

at 20 ℃;

DOI:10.1039/c5ra27465f

upstream raw materials:

phenyl phosphorodichloridite

diphenyl hydrogen phosphite

phenol

Ethylphosphorige Saeure

Downstream raw materials:

Diphosphorsaeure-P1,P2-diphenylester

diphenyl hydrogen phosphite

N-phenylphosphoryl-4-N',N'-dimethylaminopyridinium

C₁₁H₁₀NO₃P

Refernces

• 1、 Seio, Kohji,Shiozawa, Takashi,Sugiyama, Daiki,Ohno, Kentaro,Tomori, Takahito,Masaki, Yoshiaki. "31PNMR study on the reactions of amino acids and sugar derivatives with pyrophosphorous acid as a possible prebiotic phosphonylating agent". . p. 905 - 911. Retrieved 2019/05/21.
• 2、 Materna, Magdalena,Stawinski, Jacek,Kiliszek, Agnieszka,Rypniewski, Wojciech,Sobkowski, Michal. "Oxyonium phosphobetaines - Unusually stable nucleophilic catalyst-phosphate complexes formed from H-phosphonates and N-oxides". . p. 14448 - 14451. Retrieved 2016/02/19.