Diethyl (3-aminopropyl)phosphonate

Base Information

• Chemical Name: Diethyl (3-aminopropyl)phosphonate
• CAS No.: 4402-24-8
• Molecular Formula: C7H18NO3P
• Molecular Weight: 195.199
• European Community (EC) Number: 224-535-6
• DSSTox Substance ID: DTXSID80196016
• Nikkaji Number: J205.780H
• Wikidata: Q83069097
• ChEMBL ID: CHEMBL158336
• Mol file: 4402-24-8.mol

Synonyms:Diethyl (3-aminopropyl)phosphonate;4402-24-8;3-diethoxyphosphorylpropan-1-amine;diethyl 3-aminopropylphosphonate;(3-Aminopropyl)phosphonic acid diethyl ester;EINECS 224-535-6;Diethyl(3-aminopropyl)phosphonate;starbld0019539;Phosphonic acid, (3-aminopropyl)-, diethyl ester;diethyl(aminopropyl)phosphonate;SCHEMBL491488;CHEMBL158336;DTXSID80196016;MFCD11110596;AKOS006228886;3-aminopropylphosphonic acid diethyl ester;AS-62042;3-aminopropanephosphonic acid diethyl ester;(3-Amino-propyl)-phosphonic acid diethyl ester;EN300-1696811

Chemical Property of Diethyl (3-aminopropyl)phosphonate

Chemical Property:

• Vapor Pressure: 0.00507mmHg at 25°C
• Boiling Point: 275.5°Cat760mmHg
• Flash Point: 120.4°C
• PSA: 71.36000
• Density: 1.057g/cm³
• LogP: 2.30160
• Sensitive.: Air Sensitive
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 195.10243043
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

99% ^*data from raw suppliers

Diethyl(3-Aminopropyl)phosphonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(CCCN)OCC
• Uses: Diethyl (3-aminopropyl)phosphonate is used in the preparation of tert-Butyl (2-((diethoxyphosphoryl)propyl)amino)-3,4-dioxocyclobut-1- en-1-yl)carbamate by reacting with tert-butyl (2-ethoxy-3,4-dioxocyclobut-1-en-1-yl)carbamate.

Technology Process of Diethyl (3-aminopropyl)phosphonate

There total 19 articles about Diethyl (3-aminopropyl)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: 100.0%

diethyl (3-oxopropyl)phosphonate (3986-95-6) + benzylamine (100-46-9) → diethyl 3-aminopropan-1-ylphosphonate (4402-24-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 55 ℃; for 17h;

Reference yield: 99.0%

(3-azidopropyl)phosphonic acid diethyl ester (260410-26-2) → diethyl 3-aminopropan-1-ylphosphonate (4402-24-8)

Guidance literature:

With hydrogen; palladium over charcoal; In methanol; for 3h; under 2068.65 Torr;

Reference yield: 90.0%

→ diethyl 3-aminopropan-1-ylphosphonate (4402-24-8)

Guidance literature:

upstream raw materials:

diethyl (2-cyanoethyl)phosphonate

diethyl (3-oxopropyl)phosphonate

(3-carbamoyl-propyl)-phosphonic acid diethyl ester

diethyl 3-amino-3-oxopropylphosphonate

Downstream raw materials:

Diaethyl 3(N-acetylamino)propylphosphonat

(3-hydroxypropyl)phosphonic acid diethyl ester

diethyl [3-({[4-(benzyloxy)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]methyl}amino)propyl]phosphonate

Refernces

• 1、 He, Shu-Mei,Luo, Yan,Hove-Jensen, Bjarne,Zechel, David L.. "A fluorescent substrate for carbon-phosphorus lyase: Towards the pathway for organophosphonate metabolism in bacteria". . p. 5954 - 5957. Retrieved 2009.
• 2、 Rygielska-Tokarska, Dorota,Andrei, Graciela,Schols, Dominique,Snoeck, Robert,G?owacka, Iwona E.. "Synthesis, antiviral, cytotoxic and cytostatic evaluation of N1-(Phosphonoalkyl)uracil derivatives". . p. 1081 - 1090. Retrieved 2017/01/11.
• 3、 Clinch, Keith,Crump, Douglas R.,Evans, Gary B.,Hazleton, Keith Z.,Mason, Jennifer M.,Schramm, Vern L.,Tyler, Peter C.. "Acyclic phosph(on)ate inhibitors of Plasmodium falciparum hypoxanthine-guanine-xanthine phosphoribosyltransferase". . p. 5629 - 5646. Retrieved 2013/09/02.