Diethyl N-hexylamidophosphate

Base Information

• Chemical Name: Diethyl N-hexylamidophosphate
• CAS No.: 53247-00-0
• Molecular Formula: C10H24NO3P
• Molecular Weight: 237.2762
• Hs Code.: 2931900090
• European Community (EC) Number: 654-943-3
• NSC Number: 102791
• UNII: Q72LTB42D7
• DSSTox Substance ID: DTXSID00201353
• Nikkaji Number: J92.176I
• Wikidata: Q83074555
• Mol file: 53247-00-0.mol

Synonyms:diethyl hexylphosphoramidate;Diethyl N-hexylamidophosphate;53247-00-0;Diethyl N-hexylphosphoramidate;Phosphoramidic acid, hexyl-, diethyl ester;Q72LTB42D7;NSC-102791;N-diethoxyphosphorylhexan-1-amine;NSC 102791;BRN 5927090;UNII-Q72LTB42D7;WLN: 6MPO&O2&O2;DIETHYL HEXYLAMIDOPHOSPHATE;DTXSID00201353;NSC102791;AKOS024332795

Chemical Property of Diethyl N-hexylamidophosphate

Chemical Property:

• Vapor Pressure: 0.00356mmHg at 25°C
• Boiling Point: 281.4°Cat760mmHg
• Flash Point: 124°C
• PSA: 57.37000
• Density: 0.991g/cm³
• LogP: 3.72830
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 237.14938063
• Heavy Atom Count: 15
• Complexity: 178

Purity/Quality:

99% ^*data from raw suppliers

DIETHYL HEXYLAMIDOPHOSPHATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCNP(=O)(OCC)OCC

Technology Process of Diethyl N-hexylamidophosphate

There total 4 articles about Diethyl N-hexylamidophosphate 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: 92.0%

hexan-1-amine (111-26-2) + phosphonic acid diethyl ester (762-04-9) → diethyl N-hexylphosphoramidate (53247-00-0)

Guidance literature:

With copper(ll) bromide; In ethyl acetate; at 25 ℃; for 3h;

DOI:10.1246/bcsj.20130310

Reference yield:

Hexyl-phosphorimidic acid triethyl ester (146039-08-9) → diethyl N-hexylphosphoramidate (53247-00-0)

Guidance literature:

With water; In benzene; at 80 ℃; for 1h; Yield given;

Reference yield:

n-butyl magnesium bromide (693-03-8) + diethyl aziridin-1-ylphosphonate (470-27-9) → diethyl N-hexylphosphoramidate (53247-00-0)

Guidance literature:

With copper(l) iodide; Multistep reaction; 1.) THF, -30 deg C, 10 min, 2.) THF, 0 deg C, 2 h;

DOI:10.1055/s-1996-4213

upstream raw materials:

Hexyl-phosphorimidic acid triethyl ester

n-butyl magnesium bromide

diethyl aziridin-1-ylphosphonate

1-azidohexane

Downstream raw materials:

hexylammonium 4-toluenesulfonate

Refernces

• 1、 Osowska-Pacewicka, Krystyna,Zwierzak, Andrzej. "Two-carbon homologation of Grignard reagents to primary amines". . p. 333 - 335. Retrieved 2007/10/03.
• 2、 Koziara, A.. "A Facile One-Pot Transformation of Alkyl Bromides into Diethyl N-Alkylphosphoroamidates". . p. 473 - 475. Retrieved 2007/10/02.