Diethyl dibutylphosphoramidate

Base Information

• Chemical Name: Diethyl dibutylphosphoramidate
• CAS No.: 67828-17-5
• Molecular Formula: C12H28NO3P
• Molecular Weight: 265.333
• European Community (EC) Number: 267-239-2
• UN Number: 2811
• DSSTox Substance ID: DTXSID8025042
• Nikkaji Number: J92.168H
• Wikidata: Q81983903
• Mol file: 67828-17-5.mol

Synonyms:Diethyl dibutylphosphoramidate;67828-17-5;Diethyl N,N-dibutylphosphoramidate;Phosphoramidic acid, dibutyl-, diethyl ester;EINECS 267-239-2;Phosphoramidic acid, N,N-dibutyl-, diethyl ester;BRN 1786037;N,N-Dibutylphosphoramidic acid diethyl ester;4-04-00-00606 (Beilstein Handbook Reference);diethyl dibutylamidophosphate;C12H28NO3P;DTXSID8025042;C12-H28-N-O3-P;LS-1574;Dibutylaminophosphonic acid diethyl ester

Chemical Property of Diethyl dibutylphosphoramidate

Chemical Property:

• Vapor Pressure: 0.000716mmHg at 25°C
• Boiling Point: 307.6°C at 760 mmHg
• PKA: 1.01±0.70(Predicted)
• Flash Point: 139.9°C
• PSA: 48.58000
• Density: 0.98g/cm³
• LogP: 4.06970
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 265.18068075
• Heavy Atom Count: 17
• Complexity: 206
• Transport DOT Label: Poison

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCN(CCCC)P(=O)(OCC)OCC

Technology Process of Diethyl dibutylphosphoramidate

There total 6 articles about Diethyl dibutylphosphoramidate 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: 84.0%

dibutylamine (111-92-2) + phosphonic acid diethyl ester (762-04-9) → diethyl dibutylphosphoramidate (67828-17-5)

Guidance literature:

With bis[3,5-bis(trifluoromethyl)diphenyl] diselenide; In acetonitrile; at 60 ℃; for 16h;

DOI:10.1021/acs.orglett.0c01858

Reference yield: 60.0%

S-benzothiazol-2-yl-N,N-dibutyl-thiohydroxylamine (63451-39-8) + Diethyl phosphonate (762-04-9,123-22-8) → diethyl dibutylphosphoramidate (67828-17-5) + 2-Mercaptobenzothiazole (149-30-4,118090-09-8)

Guidance literature:

DOI:10.1246/cl.1980.695

Reference yield:

dibutylamine (111-92-2) + triethyl phosphite (122-52-1) → diethyl dibutylphosphoramidate (67828-17-5)

Guidance literature:

With tetrachloromethane; trimethylamine hydrochloride; In acetonitrile; at 45 - 50 ℃; for 3h;

upstream raw materials:

dibutyl-amidophosphoryl chloride

sodium ethanolate

diethyl chlorophosphate

dibutylamine

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