2-Diethoxyphosphorylethanamine

Base Information

• Chemical Name: 2-Diethoxyphosphorylethanamine
• CAS No.: 41468-36-4
• Molecular Formula: C6H16NO3P
• Molecular Weight: 181.172
• European Community (EC) Number: 844-712-7
• DSSTox Substance ID: DTXSID30369955
• Nikkaji Number: J1.271.270G
• Wikidata: Q82157253
• Mol file: 41468-36-4.mol

Synonyms:diethyl (2-aminoethyl)phosphonate;41468-36-4;2-diethoxyphosphorylethanamine;Diethyl aminoethylphosphonate;Diethyl 2-aminoethylphosphonate;MFCD00192019;2-aminoethylphosphonic acid diethyl ester;Phosphonic acid, (2-aminoethyl)-, diethyl ester;diethyl(aminoethyl)phosphonate;SCHEMBL479207;DTXSID30369955;JUAGHBASZWRMQH-UHFFFAOYSA-N;AC6106;AKOS006228885;SY233150;(2-aminoethyl)phosphonic acid diethylester;(2-aminoethyl)phosphonic acid diethyl ester;CS-0434749;(2-amino-ethyl)-phosphonic acid diethyl ester;EN300-7464191;A913448

Chemical Property of 2-Diethoxyphosphorylethanamine

Chemical Property:

• Boiling Point: 93-95 °C(Press: 4 Torr)
• PKA: 8.67±0.10(Predicted)
• PSA: 71.36000
• Density: 1.0515 g/cm3
• LogP: 1.91150
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 181.08678037
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

97% ^*data from raw suppliers

Diethyl(2-aminoethyl)phosphonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(CCN)OCC

Technology Process of 2-Diethoxyphosphorylethanamine

There total 21 articles about 2-Diethoxyphosphorylethanamine 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: 100.0%

Diethyl vinylphosphonate (682-30-4) → diethyl (2-aminoethyl)phosphonate (41468-36-4)

Guidance literature:

With ammonium hydroxide; for 72h; Ambient temperature;

DOI:10.1021/jm00402a012

Reference yield: 100.0%

2-azidoethylphosphonic acid diethyl ester (196302-98-4) → diethyl (2-aminoethyl)phosphonate (41468-36-4)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol;

DOI:10.1016/j.jmmm.2017.04.026

Reference yield: 94.0%

β-(N-benzyl)aminoethylphosphonic acid diethyl ester (79782-58-4) → diethyl (2-aminoethyl)phosphonate (41468-36-4)

Guidance literature:

With hydrogen; palladium dihydroxide; In ethanol; for 16h; Ambient temperature;

upstream raw materials:

Diethyl vinylphosphonate

diethyl 1-cyanomethylphosphonate

Phosphorsaeure-diiso-propyl-(2-diaethyl-phosphono-aethylamid)

Bromoacetaldehyde diethyl acetal

Downstream raw materials:

C₂₀H₂₇N₄O₄P

diethyl (2-{[2-({[(3R,5R)-3-butyl-3-ethyl-7-(methyloxy)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]methyl}amino)-2-oxoethyl]amino}ethyl)phosphonate

diethyl [2-({[(3R,5R)-3-butyl-3-ethyl-7-(methyloxy)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,4-benzothiazepin-8-yl]methyl}amino)ethyl]phosphonate

Refernces

• 1、 McGrath, Andrew J.,Dolan, Ciaran,Cheong, Soshan,Herman, David A.J.,Naysmith, Briar,Zong, Fangrong,Galvosas, Petrik,Farrand, Kathryn J.,Hermans, Ian F.,Brimble, Margaret,Williams, David E.,Jin, Jianyong,Tilley, Richard D.. "Stability of polyelectrolyte-coated iron nanoparticles for T2-weighted magnetic resonance imaging". . p. 251 - 258. Retrieved 2017.
• 2、 Weekes, David M.,Ramogida, Caterina F.,Jaraquemada-Peláez, Maria De Guadalupe,Patrick, Brian O.,Apte, Chirag,Kostelnik, Thomas I.,Cawthray, Jacqueline F.,Murphy, Lisa,Orvig, Chris. "Dipicolinate Complexes of Gallium(III) and Lanthanum(III)". supporting information. p. 12544 - 12558. Retrieved 2016/12/26.