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1080-32-6,MFCD00009078
Catalog No.:AA003PDK

1080-32-6 | Diethyl benzylphosphonate

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1g
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5g
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10g
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25g
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500g
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003PDK
Chemical Name:
Diethyl benzylphosphonate
CAS Number:
1080-32-6
Molecular Formula:
C11H17O3P
Molecular Weight:
228.2246
MDL Number:
MFCD00009078
SMILES:
CCOP(=O)(Cc1ccccc1)OCC
NSC Number:
62294
Properties
Properties
 
BP:
298.8°C at 760 mmHg  
Form:
Liquid  
Refractive Index:
n20/D 1.497(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
202  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
6  
XLogP3:
1.7  

Upstream Synthesis Route

[1]OrganicLetters,2014,vol.16,#5,p.1446-1449

[1]OrganicLetters,2014,vol.16,#5,p.1446-1449

[1]OrganicLetters,2014,vol.16,#5,p.1446-1449

[1]OrganicLetters,2014,vol.16,#5,p.1446-1449

[1]OrganicLetters,2014,vol.16,#5,p.1446-1449

Downstream Synthesis Route

[1]Shono;Oda[KogyoKagakuzasshi/JournaloftheSocietyofChemicalIndustry,1957,vol.60,p.21,22][Chem.Abstr.,1959,p.4177]

[1]Märkl,Gottfried;Amrhein,Jürgen;Stoiber,Thomas;Striebl,Ulrich;Kreitmeier,Peter[Tetrahedron,2002,vol.58,#13,p.2551-2567]

[2]Hurtado,Marcela;Yanez,Manuel;Herrero,Rebeca;Guerrero,Andres;JuanZ.Davalos;Jose-Luis,M.Abboud;Khater,Brahim;Guillemin,Jean-Claude[Chemistry-AEuropeanJournal,2009,vol.15,#18,p.4622-4629]

[3]Horneretal.[ChemischeBerichte,1958,vol.91,p.1583,1588]

[4]CurrentPatentAssignee:JUBILANTPHARMOVALTD-WO2018/162964,2018,A1Locationinpatent:Page/Pagecolumn19

[5]Davies,RobertP.;Patel,Laura;White,AndrewJ.P.[InorganicChemistry,2012,vol.51,#21,p.11594-11601,8]

[1]CurrentPatentAssignee:ASTRAZENECAPLC-EP745673,1996,A2

[2]Kaganetal.[JournaloftheAmericanChemicalSociety,1959,vol.81,p.3026,3029]

[3]Fonseca,EmanuellaM.B.;Trivella,DanielaB.B.;Scorsato,Valéria;Dias,MarianaP.;Bazzo,NatáliaL.;Mandapati,KishoreR.;DeOliveira,FábioL.;Ferreira-Halder,CarmenV.;Pilli,RonaldoA.;Miranda,PauloC.M.L.;Aparicio,Ricardo[BioorganicandMedicinalChemistry,2015,vol.23,#15,p.4462-4471]

[1]Mouysset;Bellan;Payard;Tisne-Versailles[Farmaco,EdizionePratica,1987,vol.42,#11,p.805-813]

[2]CurrentPatentAssignee:AMERICANSECURITIESCAPITALPARTNERSLLC-US2007/4937,2007,A1Locationinpatent:Page/Pagecolumn3

[3]Gauvry;Mortier[Synthesis,2001,#4,p.553-554]

[4]Fonseca,EmanuellaM.B.;Trivella,DanielaB.B.;Scorsato,Valéria;Dias,MarianaP.;Bazzo,NatáliaL.;Mandapati,KishoreR.;DeOliveira,FábioL.;Ferreira-Halder,CarmenV.;Pilli,RonaldoA.;Miranda,PauloC.M.L.;Aparicio,Ricardo[BioorganicandMedicinalChemistry,2015,vol.23,#15,p.4462-4471]

[5]Chervenyuk,G.I.;Griner,G.V.[JournalofgeneralchemistryoftheUSSR,1972,vol.42,p.2180-2183][ZhurnalObshcheiKhimii,1972,vol.42,#10,p.2183-2186]

[6]Williams,A.etal.[JournaloftheChemicalSociety.PerkintransactionsII,1973,p.25-33]

[7]Schwender;Beers;Malloy;Cinicola;Wustrow;Demarest;Jordan[BioorganicandMedicinalChemistryLetters,1996,vol.6,#3,p.311-314]

[8]Morita,Tsuyoshi;Okamoto,Yoshiki;Sakurai,Hiroshi[BulletinoftheChemicalSocietyofJapan,1981,vol.54,#1,p.267-273]

[9]Gross,H.etal.[JournalfurpraktischeChemie(Leipzig1954),1978,vol.320,p.344-350]

[10]Rabinowitz,R.[JournalofOrganicChemistry,1963,vol.28,p.2975-2978]

[11]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-US6166006,2000,A

[12]Matyugina,ElenaS.;Valuev-Elliston,VladimirT.;Chizhov,AlexanderO.;Kochetkov,SergeiN.;Khandazhinskaya,AnastasiaL.[MendeleevCommunications,2016,vol.26,#2,p.114-116]

[13]Harsági,Nikoletta;Keglevich,György;Szőllősi,Betti;Varga,PetraRegina[Phosphorus,SulfurandSiliconandtheRelatedElements,2021]

[1]Rosocha,Gregory;Batey,RobertA.[Tetrahedron,2013,vol.69,#41,p.8758-8768]

[2]Moore;Harrington;Swingle[JournalofMedicinalChemistry,1975,vol.18,#4,p.386-391]

[3]Deck,LorraineM.;Whalen,LisaJ.;Hunsaker,LucyA.;Royer,RobertE.;VanderJagt,DavidL.[BioorganicandMedicinalChemistry,2017,vol.25,#4,p.1423-1430]

Literature

Title: Synthesis of alpha-(nitroaryl)benzylphosphonates via oxidative nucleophilic substitution of hydrogen in nitroarenes.

Journal: The Journal of organic chemistry 20090515

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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Tags:1080-32-6 Molecular Formula|1080-32-6 MDL|1080-32-6 SMILES|1080-32-6 Diethyl benzylphosphonate