Isopropyl methyl phosphonate

Base Information

• Chemical Name: Isopropyl methyl phosphonate
• CAS No.: 5514-35-2
• Molecular Formula: C4H10O3P+
• Molecular Weight: 138.103
• DSSTox Substance ID: DTXSID1074838
• Mol file: 5514-35-2.mol

Synonyms:Isopropyl methyl phosphonate;Isopropyl methyl phosphite;5514-35-2;Phosphonic acid, methyl 1-methylethyl ester;SCHEMBL2577767;DTXSID1074838

Chemical Property of Isopropyl methyl phosphonate

Chemical Property:

• PSA: 69.67000
• LogP: 1.71520
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 137.03675617
• Heavy Atom Count: 8
• Complexity: 81.4

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)O[P+](=O)OC

Technology Process of Isopropyl methyl phosphonate

There total 2 articles about Isopropyl methyl 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:

Dimethyl phosphite (868-85-9) + isopropyl alcohol (67-63-0,8013-70-5) → isopropyl methyl phosphonate (5514-35-2) + phosphonic acid monomethyl ester (13590-71-1)

Guidance literature:

at 20 ℃; for 360h; Further Variations:; Solvents; reaction time; Product distribution;

DOI:10.1023/A:1026388315184

Reference yield:

O,S,S-trimethylphosphorodithoate (22608-53-3) + isopropyl alcohol (67-63-0,8013-70-5) → isopropyl methyl phosphonate (5514-35-2)

Guidance literature:

Irradiation;

DOI:10.1039/c39800000370

upstream raw materials:

O,S,S-trimethylphosphorodithoate

isopropyl alcohol

Dimethyl phosphite