Methyl phenyl hydrogen phosphate

Base Information

• Chemical Name: Methyl phenyl hydrogen phosphate
• CAS No.: 4009-39-6
• Molecular Formula: C7H9O4P
• Molecular Weight: 188.12
• NSC Number: 177873
• DSSTox Substance ID: DTXSID60306595
• Nikkaji Number: J377.960B
• Wikidata: Q82053754
• Mol file: 4009-39-6.mol

Synonyms:methyl phenyl hydrogen phosphate;4009-39-6;Phosphoric acid, monomethyl monophenyl ester;NSC177873;SCHEMBL33208;DTXSID60306595;NSC-177873;A937317

Chemical Property of Methyl phenyl hydrogen phosphate

Chemical Property:

• Vapor Pressure: 0.00183mmHg at 25°C
• Boiling Point: 280.2°Cat760mmHg
• Flash Point: 123.3°C
• Density: 1.329g/cm³
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 188.02384576
• Heavy Atom Count: 12
• Complexity: 176

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COP(=O)(O)OC1=CC=CC=C1

Technology Process of Methyl phenyl hydrogen phosphate

There total 19 articles about Methyl phenyl hydrogen phosphate 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 4-nitrophenyl phosphate (846-02-6) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + methyl phenyl hydrogen phosphate (4009-39-6)

Guidance literature:

With organophosphorus acid anhydrolase from Alteromonas sp. JD_6.5; water; at 25 ℃; Enzyme kinetics;

DOI:10.1016/S0960-894X(00)00213-4

Reference yield:

methanol (67-56-1) + diammonium salt of phenyl phosphatosulfate (32599-82-9) → phosphoric acid monophenyl ester (701-64-4) + methyl phenyl hydrogen phosphate (4009-39-6)

Guidance literature:

With N-ethylmorpholine;; magnesium(II) perchlorate; at 55 ℃; Rate constant;

DOI:10.1246/bcsj.66.2931

Reference yield:

methyl phenyl phosphorochloridate (6719-79-5) → methyl phenyl hydrogen phosphate (4009-39-6)

Guidance literature:

With sodium hydroxide; In dichloromethane; water; at 20 ℃;

DOI:10.1039/c3cc41107a

upstream raw materials:

dimethyl phenyl phosphate

O-phenyl phosphorodichloridate

methanol

phosphoric acid monophenyl ester

Downstream raw materials:

(E)-ethyl 3-(2-((dimethoxyphosphoryl)oxy)phenyl)acrylate

dimethylphosphoric acid

phenol

Refernces

• 1、 Chan, Li Yan,Cheong, Lilian,Kim, Sunggak. "Pd(II)-catalyzed ortho-arylation of aryl phosphates and aryl hydrogen phosphates with diaryliodonium triflates". . p. 2186 - 2189. Retrieved 2013/06/05.
• 2、 Stulz,Buergi,Leumann. "ZrIV-tetraphenylporphyrinates as nuclease mimics: structural, kinetic and mechanistic studies on phosphate diester transesterification.". . p. 523 - 536. Retrieved 2007/10/03.