Dibutyl ((diethylamino)carbonyl)phosphonate

Base Information

• Chemical Name: Dibutyl ((diethylamino)carbonyl)phosphonate
• CAS No.: 7439-69-2
• Molecular Formula: C13H28 N O4 P
• Molecular Weight: 293.343
• European Community (EC) Number: 231-094-3
• NSC Number: 203038
• UNII: ZLY37K223J
• DSSTox Substance ID: DTXSID30225380
• Nikkaji Number: J208.375B
• Wikidata: Q83104344
• Mol file: 7439-69-2.mol

Synonyms:7439-69-2;Di-n-Butyl N,N-Diethylcarbamoylphosphonate;Dibutyl ((diethylamino)carbonyl)phosphonate;1-dibutoxyphosphoryl-N,N-diethylformamide;DIBUTYL DIETHYLCARBAMOYLPHOSPHONATE;EINECS 231-094-3;NSC-203038;Di-N-butyl N,N-diethylcarbamylphosphonate;Phosphonic acid, [(diethylamino)carbonyl]-, dibutyl ester;Dibutyl [(diethylamino)carbonyl]phosphonate;DI-N-BUTYLN,N-DIETHYLCARBAMOYLPHOSPHONATE;starbld0016588;C13H28NO4P;Dibutyldiethylcarbamylphosphonate;SCHEMBL1305970;ZLY37K223J;DTXSID30225380;dibutyl (diethylcarbamoyl)phosphonate;MFCD00039952;NSC203038;Dibutyl N,N-diethylcarbamylphosphonate;AKOS024371065;dibutyl n,n-diethylcarbamoylphosphonate;dibutyl-N,N-diethylcar-bamylphosphonate;NSC 203038;CS-0455445;FT-0625166;Dibutyl P-[(diethylamino)carbonyl]phosphonate;N,N-Diethylcarbamoylphosphonic acid dibutyl ester;Di-n-butylphosphonameisensA currencyurediA currencythylamid;Phosphonic acid, P-[(diethylamino)carbonyl]-, dibutyl ester;Phosphonic acid,[(diethylamino)carbonyl]-,dibutyl ester(9ci)

Chemical Property of Dibutyl ((diethylamino)carbonyl)phosphonate

Chemical Property:

• Appearance/Colour: Used as a reagent in the testing of Americium and Plutonium.
• Vapor Pressure: 6.07E-05mmHg at 25°C
• Refractive Index: 1.4520
• Boiling Point: 132-134°C 1mm
• Flash Point: 162.8 °C
• PSA: 65.65000
• Density: 1.031 g/cm³
• LogP: 4.27470
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 293.17559537
• Heavy Atom Count: 19
• Complexity: 278

Purity/Quality:

99%, ^*data from raw suppliers

Dibutyl-N,N-diethylcarbomoyl phosphonate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Organophosphates, Other
• Canonical SMILES: CCCCOP(=O)(C(=O)N(CC)CC)OCCCC

Technology Process of Dibutyl ((diethylamino)carbonyl)phosphonate

There total 2 articles about Dibutyl ((diethylamino)carbonyl)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: 71.0%

tri-n-butyl phosphite (102-85-2) + N,N-diethylcarbamyl chloride (88-10-8) → dibutyl diethylcarbamoylphosphonate (7439-69-2)

Guidance literature:

at 0 - 100 ℃; for 12h;

DOI:10.1016/j.ica.2017.07.048

Reference yield:

dibutyl hydrogen phosphite (1809-19-4) → dibutyl diethylcarbamoylphosphonate (7439-69-2)

Guidance literature:

With sodium; Petroleum ether; und anschliessend mit Diaethylcarbamoylchlorid;

upstream raw materials:

dibutyl hydrogen phosphite

tri-n-butyl phosphite

N,N-diethylcarbamyl chloride

Refernces