Diisopropyl methylphosphonate

Base Information

• Chemical Name: Diisopropyl methylphosphonate
• CAS No.: 1445-75-6
• Deprecated CAS: 169301-54-6
• Molecular Formula: C7H17 O3 P
• Molecular Weight: 180.184
• Hs Code.: 2931900090
• European Community (EC) Number: 215-896-0
• UNII: 56V3OG5DC7
• DSSTox Substance ID: DTXSID5024051
• Nikkaji Number: J95.643K
• Wikipedia: Diisopropyl_methylphosphonate
• Wikidata: Q5276479
• Metabolomics Workbench ID: 122966
• ChEMBL ID: CHEMBL1232236
• Mol file: 1445-75-6.mol

Synonyms:diisopropyl methylphosphonate;DIMP

Chemical Property of Diisopropyl methylphosphonate

Chemical Property:

• Vapor Pressure: 0.000475mmHg at 25°C
• Melting Point: 25°C
• Refractive Index: 1.4100
• Boiling Point: 214.5°Cat760mmHg
• Flash Point: 97.7°C
• PSA: 45.34000
• Density: 0.991g/cm³
• LogP: 2.65930
• Storage Temp.: ?20°C
• Water Solubility.: Miscible with water.
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 180.09153140
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

98% ^*data from raw suppliers

Diisopropyl methylphosphonate 94% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R22:Harmful if swallowed.
• Hazard Codes: F,T
• Statements: 22-39/23/24/25-23/24/25-11
• Safety Statements: 36/37-45-16-7

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Chemical Weapons
• Canonical SMILES: CC(C)OP(=O)(C)OC(C)C
• Uses: Diisopropyl methylphosphonate is used as a precursor to prepare beta-keto phosphonates. It acts as an intermediate for Horner-Wadsworth-Emmons olefination of carbonyl compounds.

Technology Process of Diisopropyl methylphosphonate

There total 24 articles about Diisopropyl 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: 100.0%

triisopropyl phosphite (116-17-6) + methyl iodide (74-88-4) → diisopropyl methanephosphonate (1445-75-6)

Guidance literature:

at 60 - 100 ℃; for 1h; Inert atmosphere;

DOI:10.1055/s-0035-1561937

Reference yield: 97.0%

methylphosphonic acid dichloroanhydride (676-97-1) + isopropyl alcohol (67-63-0,8013-70-5) → diisopropyl methanephosphonate (1445-75-6)

Guidance literature:

With aluminum oxide; at 20 ℃;

Reference yield: 92.0%

methylphosphonic acid (993-13-5) + isopropyl alcohol (67-63-0,8013-70-5) → diisopropyl methanephosphonate (1445-75-6)

Guidance literature:

With tetrachlorosilane; at 0 ℃;

DOI:10.1016/j.tetlet.2006.02.159

upstream raw materials:

methyl bromide

triisopropyl phosphite

methylphosphonic acid dichloroanhydride

isopropyl alcohol

Downstream raw materials:

methylphosphonic acid dichloroanhydride

methylphosphonic acid isopropyl ester

methylphosphonic chloride isopropyl ester

((E)-2-Hydroxy-4-phenyl-but-3-enyl)-phosphonic acid diisopropyl ester