Dimethyl (hydroxymethyl)phosphonate

Base Information

• Chemical Name: Dimethyl (hydroxymethyl)phosphonate
• CAS No.: 24630-67-9
• Molecular Formula: C3H9O4P
• Molecular Weight: 140.076
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID20453317
• Nikkaji Number: J2.452.143E
• Wikidata: Q72470608
• Mol file: 24630-67-9.mol

Synonyms:Dimethyl (hydroxymethyl)phosphonate;24630-67-9;Dimethoxyphosphorylmethanol;Dimethyl hydroxymethylphosphonate;C3H9O4P;Phosphonic acid, P-(hydroxymethyl)-, dimethyl ester;Phosphonic acid, (hydroxymethyl)-, dimethyl ester;SCHEMBL222574;dimethyl hydroxylmethylphosphonate;dimethyl(hydroxymethyl)phosphonate;DTXSID20453317;OIERWUPLBOKSRB-UHFFFAOYSA-N;ZAA63067;MFCD11053766;AKOS006307374;CS-W006438;Hydroxymethylphosphonic acid dimethyl ester;hydroxymethyl-phosphonic acid dimethyl ester;FT-0763917;C74268

Chemical Property of Dimethyl (hydroxymethyl)phosphonate

Chemical Property:

• Vapor Pressure: 0.047mmHg at 25°C
• Refractive Index: 1.41
• Boiling Point: 209.444 °C at 760 mmHg
• PKA: 12.73±0.10(Predicted)
• Flash Point: 80.469 °C
• PSA: 65.57000
• Density: 1.246 g/cm³
• LogP: 0.42210
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 140.02384576
• Heavy Atom Count: 8
• Complexity: 93.5

Purity/Quality:

97% ^*data from raw suppliers

Dimethyl (hydroxymethyl)phosphonate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COP(=O)(CO)OC

Technology Process of Dimethyl (hydroxymethyl)phosphonate

There total 12 articles about Dimethyl (hydroxymethyl)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: 100.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + Dimethyl phosphite (868-85-9) → hydroxymethyl-phosphonic acid dimethyl ester (24630-67-9)

Guidance literature:

With potassium carbonate; In methanol; at 65 ℃;

DOI:10.1021/acschemneuro.0c00348

Reference yield: 95.0%

(dimethoxyphosphanyloxy-methyl)-phosphonic acid dimethyl ester (69412-44-8) + trifluoroacetic acid (76-05-1) → hydroxymethyl-phosphonic acid dimethyl ester (24630-67-9) + dimethyl-α-dimethylphosphono-β,β,β-trifluoroethyl phosphate

Guidance literature:

In acetonitrile; at 0 ℃;

Reference yield: 85.0%

O,O-dimethylacetoxymethylphosphonate (24630-57-7) → hydroxymethyl-phosphonic acid dimethyl ester (24630-67-9)

Guidance literature:

With sodium methylate; In methanol; Ambient temperature;

upstream raw materials:

O,O-dimethylacetoxymethylphosphonate

Dimethyl phosphite

(dimethoxyphosphanyloxy-methyl)-phosphonic acid dimethyl ester

trifluoroacetic acid

Downstream raw materials:

(2-Cyano-ethoxymethyl)-phosphonic acid dimethyl ester

(1-ethoxy-ethoxymethyl)-phosphonic acid dimethyl ester

3-(Dimethoxy-phosphorylmethoxy)-propionic acid methyl ester

(Tetrahydro-furan-2-yloxymethyl)-phosphonic acid dimethyl ester