methyl dihydrogen phosphate

Base Information

• Chemical Name: methyl dihydrogen phosphate
• CAS No.: 812-00-0
• Molecular Formula: CH5 O4 P
• Molecular Weight: 112.022
• European Community (EC) Number: 212-379-1,603-247-8,811-100-6
• NSC Number: 41908
• UNII: 7C7GH393JL
• DSSTox Substance ID: DTXSID2025684
• Nikkaji Number: J96.829C
• Wikidata: Q23993898
• Metabolomics Workbench ID: 49854
• ChEMBL ID: CHEMBL344340
• Mol file: 812-00-0.mol

Synonyms:Methylphosphate ((CH3O)(HO)2PO) (6CI); Methyl dihydrogen phosphate; Methyl phosphate((MeO)(HO)2PO); Monomethyl dihydrogen phosphate; Monomethyl phosphate; NSC41908; O-Methyl phosphate

Chemical Property of methyl dihydrogen phosphate

Chemical Property:

• Vapor Pressure: 0.007mmHg at 25°C
• Boiling Point: 250.086°C at 760 mmHg
• PKA: 1.81±0.10(Predicted)
• Flash Point: 105.048°C
• PSA: 76.57000
• Density: 1.587±0.06 g/cm3(Predicted)
• LogP: -0.27450
• Water Solubility.: 435g/L at 25℃
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 111.99254563
• Heavy Atom Count: 6
• Complexity: 71.6

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COP(=O)(O)O
• Uses: Monomethyl phosphate is a useful building block and byproduct of the degradation of black phosphorous in protic solvents.

Technology Process of methyl dihydrogen phosphate

There total 65 articles about methyl dihydrogen 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: 82.0%

methanol (67-56-1) → trimethyl phosphite (512-56-1) + methylphosphate (812-00-0) + dimethylphosphoric acid (813-78-5)

Guidance literature:

With phosphorus; tetraethylammonium iodide; In water; acetonitrile; electrolysis;

Reference yield: 17.1%

isobutyl phosphine hydrochloride → methylphosphate (812-00-0) + Phosphorsaeure-sec.-butylester (2466-73-1) + methylphosphinic acid (4206-94-4)

Guidance literature:

With dihydrogen peroxide; In water; at -20 - 20 ℃;

Reference yield:

bis(p-nitrophenyl) methyl phosphate (799-87-1) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + methylphosphate (812-00-0)

Guidance literature:

With 5,5'-bis(β-cyclodextrin-6-monodeoxy-6-thio)-2,2'-bipyridine; dihydrogen peroxide; lanthanum(III) ion; In water; at 25 ℃; Rate constant; var. reagent concentrations;

DOI:10.1021/ja00096a055

upstream raw materials:

methanol

mono-p-nitrophenyl phosphate

Dimethylarsinic acid

phenylphosphonate

Downstream raw materials:

methanol

P¹,P²-Dimethyl diphosphate

Creatinine

Refernces

• 1、 Hamer,N.K.. "". . p. 758 - 759. Retrieved 1967.
• 2、 Jencks,Gilchrist. "". . p. 1410,1417. Retrieved 1964.
• 3、 -. "METHOD FOR PRODUCING PHOSPHOESTER COMPOUND". Paragraph 0023; 0026-0028. . Retrieved 2021/09/27.
• 4、 Khulbe, Kritika,Roy, Punarbasu,Radhakrishnan, Anusree,Mugesh, Govindasamy. "An Unusual Two-Step Hydrolysis of Nerve Agents by a Nanozyme". . p. 4840 - 4845. Retrieved 2018/09/27.