(E)-1-diethoxyphosphorylprop-1-ene

Base Information

• Chemical Name: (E)-1-diethoxyphosphorylprop-1-ene
• CAS No.: 5954-65-4
• Molecular Formula: C7H15O3P
• Molecular Weight: 178.168
• DSSTox Substance ID: DTXSID60420649
• Nikkaji Number: J636.169B,J993.719F
• Wikidata: Q82231958
• Mol file: 5954-65-4.mol

Synonyms:5954-65-4;(E)-1-diethoxyphosphorylprop-1-ene;Phosphonic acid, 1-propenyl-, diethyl ester;diethyl prop-1-en-1-ylphosphonate;diethoxyphosphorylpropylene;diethylprop-1-en-1-ylphosphonate;DTXSID60420649;VBHYLCOEVPIQKH-QPJJXVBHSA-N;diethyl trans-1-propenylphosphonate;MFCD00463609;(E)-1-diethoxyphosphoryl-prop-1-ene;Diethyl (prop-1(E)-enyl)phosphonate;AKOS017342839;1-Propenylphosphonic acid diethyl ester;diethyl (E)-prop-1-en-1-ylphosphonate;[(E)-1-Propenyl]phosphonic acid diethyl ester;DIETHYL (1E)-PROP-1-EN-1-YLPHOSPHONATE

Chemical Property of (E)-1-diethoxyphosphorylprop-1-ene

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.143mmHg at 25°C
• Refractive Index: n20/D 1.4340(lit.)
• Boiling Point: 223.4 °C at 760 mmHg
• Flash Point: 103.1 °C
• PSA: 45.34000
• Density: 1.02 g/cm³
• LogP: 2.78610
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 178.07588133
• Heavy Atom Count: 11
• Complexity: 155

Purity/Quality:

99% ^*data from raw suppliers

DIETHYL ALLLYLPHOSPHONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(C=CC)OCC
• Isomeric SMILES: CCOP(=O)(/C=C/C)OCC

Technology Process of (E)-1-diethoxyphosphorylprop-1-ene

There total 1 articles about (E)-1-diethoxyphosphorylprop-1-ene 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:

sodium ethanolate (141-52-6) + methyloxirane (75-56-9,16033-71-9) → triethyl phosphate (78-40-0) + diethyl ester of 2-methylvinylphosphonic acid (5954-65-4) + 1-phenoxy-2-chloropropane (53491-30-8)

Guidance literature:

With phosphorus; phosphorus pentachloride; trimethylamine; phenol; Yield given. Multistep reaction;

DOI:10.1007/BF00956684

Reference yield: 80.0%

diethyl ester of 2-methylvinylphosphonic acid (5954-65-4) → Diethyl (2-oxopropyl)phosphonate (1067-71-6)

Guidance literature:

With hydrogenchloride; water; oxygen; palladium dichloride; at 85 ℃; for 20h;

Reference yield:

diethyl ester of 2-methylvinylphosphonic acid (5954-65-4) + phenyllithium (591-51-5) → Diethyl (2-phenylpropyl)phosphonate

Guidance literature:

In tetrahydrofuran; hexane; at -78 ℃; for 0.5h; Yield given. Title compound not separated from byproducts;

upstream raw materials:

sodium ethanolate

methyloxirane

Downstream raw materials:

Diethyl (2-oxopropyl)phosphonate

diethyl (S)-(2-phenylpropyl)phosphonate

Refernces