Butane-1,4-diyl diethyl bis[ethyl(phosphonate)]

Base Information

• Chemical Name: Butane-1,4-diyl diethyl bis[ethyl(phosphonate)]
• CAS No.: 5284-05-9
• Molecular Formula: C₁₂H₂₈O₆P₂
• Molecular Weight: 330.298
• NSC Number: 86052
• DSSTox Substance ID: DTXSID40967305
• Mol file: 5284-05-9.mol

Synonyms:5284-05-9;butane-1,4-diyl diethyl bis[ethyl(phosphonate)];NSC86052;DTXSID40967305;NSC-86052;Phosphonic acid, ethyl-, ethyl ester, diester wtih 1,4-butanediol

Chemical Property of Butane-1,4-diyl diethyl bis[ethyl(phosphonate)]

Chemical Property:

• Vapor Pressure: 4.52E-21mmHg at 25°C
• Boiling Point: 421.1°Cat760mmHg
• Flash Point: 221.9°C
• Density: 1.099g/cm³
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 13
• Exact Mass: 330.13611260
• Heavy Atom Count: 20
• Complexity: 302

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(CC)OCCCCOP(=O)(CC)OCC

Technology Process of Butane-1,4-diyl diethyl bis[ethyl(phosphonate)]

There total 2 articles about Butane-1,4-diyl diethyl bis[ethyl(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:

Butane-1,4-diol (110-63-4) + ethyl ethylphosphonochloridate (5284-10-6) → 1,4-Bis-(ethoxy-ethyl-phosphinyloxy)-butan (5284-05-9)

Guidance literature:

With triethylamine;

DOI:10.1021/jm00320a018

Reference yield:

1,4-bis-diethoxyphosphanyloxy-butane (36663-44-2) → 1,4-Bis-(ethoxy-ethyl-phosphinyloxy)-butan (5284-05-9)

Guidance literature:

upstream raw materials:

Butane-1,4-diol

ethyl ethylphosphonochloridate

1,4-bis-diethoxyphosphanyloxy-butane