Dimethyl methylphosphonate

Base Information

• Chemical Name: Dimethyl methylphosphonate
• CAS No.: 756-79-6
• Deprecated CAS: 351011-43-3,880251-70-7
• Molecular Formula: C3H9O3P
• Molecular Weight: 124.076
• European Community (EC) Number: 212-052-3
• NSC Number: 62240
• UN Number: 1993
• UNII: 20Z996230U
• DSSTox Substance ID: DTXSID0020494
• Nikkaji Number: J14.169K
• Wikipedia: Dimethyl_methylphosphonate
• Wikidata: Q417529
• ChEMBL ID: CHEMBL2924224
• Mol file: 756-79-6.mol

Synonyms:dimethyl methanephosphonate;dimethyl methylphosphonate;dimethylmethylphosphonate

Chemical Property of Dimethyl methylphosphonate

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: <0.1 mm Hg ( 20 °C)
• Melting Point: <50°
• Refractive Index: n20/D 1.413(lit.)
• Boiling Point: 181 °C at 760 mmHg
• PKA: pKa (20°) in water: 2.37
• Flash Point: 68.9 °C
• PSA: 45.34000
• Density: 1.079 g/cm³
• LogP: 1.10210
• Water Solubility.: >=10 g/100 mL at 21 ºC
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 124.02893114
• Heavy Atom Count: 7
• Complexity: 82.2
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99%, ^*data from raw suppliers

O,O-Dimethyl Methylphosphonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T,Xi
• Statements: 46-36-62
• Safety Statements: 53-26-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Organophosphates, Other
• Canonical SMILES: COP(=O)(C)OC
• General Description: Dimethyl methylphosphonate (DMMP) is a chemical warfare agent simulant that can be effectively degraded through photocatalytic and sonophotocatalytic processes using titanium dioxide (TiO2) in aqueous suspensions. These methods achieve complete mineralization of DMMP into inorganic products, as confirmed by monitoring total organic carbon (TOC) levels and analyzing intermediates and final products via GC/MS and ion chromatography. The degradation efficiency is enhanced with ultrasonic irradiation, demonstrating its potential for environmental remediation of such compounds.

Technology Process of Dimethyl methylphosphonate

There total 122 articles about Dimethyl methylphosphonate 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: 96.0%

1,1,1-tri(hydroxymethyl)propane (77-99-6) + phosphorous acid trimethyl ester (121-45-9) → dimethyl methane phosphonate (756-79-6)

Guidance literature:

1,1,1-tri(hydroxymethyl)propane; phosphorous acid trimethyl ester; at 80 - 120 ℃; for 4h;

With methyl p-toluene sulfonate; at 170 - 180 ℃; for 2h; Reagent/catalyst; Temperature;

Reference yield: 89.0%

methanol (67-56-1) + methylphosphonic acid (993-13-5) → dimethyl methane phosphonate (756-79-6)

Guidance literature:

With tetrachlorosilane; at 0 ℃;

DOI:10.1016/j.tetlet.2006.02.159

Reference yield: 74.0%

methanol (67-56-1) + methyl hydrogen methylphosphonate (1066-53-1) → dimethyl methane phosphonate (756-79-6)

Guidance literature:

With polymer supported sulfonated magnetic resin; In toluene; at 20 - 70 ℃; for 0.75h;

DOI:10.1016/j.tetlet.2014.10.086

upstream raw materials:

methylphosphonic acid dichloroanhydride

sodium methylate

triphenyl phosphite

methanol

Downstream raw materials:

methylphosphonic acid dichloroanhydride

methylphosphonic acid dipropyl ester

methyl n-propyl methylphosphonate

dimethyl (2-oxopropyl)phosphonate

Refernces

Routes of photocatalytic destruction of chemical warfare agent simulants

10.1039/b109837c

The research focuses on the photocatalytic and sonophotocatalytic degradation of chemical warfare agent simulants, including dimethyl methylphosphonate (DMMP), diethyl phosphoramidate (DEPA), pinacolyl methylphosphonate (PMP), and butylaminoethanethiol (BAET), using aqueous suspensions of titanium dioxide (TiO2). The experiments involved subjecting these simulants to both photocatalytic and sonophotocatalytic treatments to achieve complete mineralization into inorganic products. The analysis included monitoring the total organic carbon (TOC) concentration, detecting intermediate and final products using gas chromatography-mass spectrometry (GC/MS) after derivatization with trimethylsilyl (TMS) reagents, and quantifying inorganic ions through ion chromatography. The study also compared the degradation rates with and without ultrasonic irradiation and calculated the quantum efficiencies for the complete mineralization of the simulants.

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