Name: Name:Phosphonic acid, P-[(3-bromophenyl)methyl]-, diethyl ester
Brand: AABLOCKS
SKU: AA000YCE
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA000YCE

Chemical Name: Phosphonic acid, P-[(3-bromophenyl)methyl]-, diethyl ester

CAS Number: 128833-03-4

Molecular Formula: C11H16BrO3P

Molecular Weight: 307.1207

MDL Number: MFCD07772009

SMILES: CCOP(=O)(Cc1cccc(c1)Br)OCC

Properties

Complexity: 237

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 16

Hydrogen Bond Acceptor Count: 3

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 6

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.4

Downstream Synthesis Route

54663-78-4

128833-03-4

(3-Thiophen-2-yl-benzyl)-phosphonicaciddiethylester

[1]Kennedy,Gordon;Perboni,AlcideD.[TetrahedronLetters,1996,vol.37,#42,p.7611-7614]

17997-47-6

128833-03-4

Diethyl(3-(pyridin-2-yl)benzyl)phosphonate

[1]Kennedy,Gordon;Perboni,AlcideD.[TetrahedronLetters,1996,vol.37,#42,p.7611-7614]

128833-03-4

105494-69-7

3-(1-Methyl-1H-imidazol-2-yl)-benzyl-phosphonicaciddiethylester

[1]Kennedy,Gordon;Perboni,AlcideD.[TetrahedronLetters,1996,vol.37,#42,p.7611-7614]

128833-03-4

144173-85-3

(3-Pyrimidin-5-yl-benzyl)-phosphonicaciddiethylester

[1]Kennedy,Gordon;Perboni,AlcideD.[TetrahedronLetters,1996,vol.37,#42,p.7611-7614]

823-78-9

122-52-1

128833-03-4

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-US2009/203657,2009,A1Locationinpatent:Page/Pagecolumn76-77

[2]CurrentPatentAssignee:VTVTHERAPEUTICSINC.-US2009/12171,2009,A1Locationinpatent:Page/Pagecolumn11

[3]CurrentPatentAssignee:VTVTHERAPEUTICSINC.-WO2005/105736,2005,A1Locationinpatent:Page/Pagecolumn28-29

[4]Locationinpatent:experimentalpartHong,MyengChan;Kim,YunKyung;Choi,JaeYong;Yang,SiQiang;Rhee,Hakjune;Ryu,YoungHoon;Choi,TaeHyun;Cheon,GiJeong;An,GwangIl;Kim,HyeYun;Kim,Youngsoo;Kim,DongJin;Lee,Jun-Seok;Chang,Young-Tae;Lee,KyoChul[BioorganicandMedicinalChemistry,2010,vol.18,#22,p.7724-7730]

[5]Beletskaya,IrinaP.;Titanyuk,IgorD.[JournalofOrganicChemistry,2022,vol.87,#5,p.2748-2757]

[6]Caplan,NeilA.;Pogson,ChristopherI.;Hayes,DavidJ.;Blackburn,G.Michael[JournaloftheChemicalSociety.PerkinTransactions1(2001),2000,#3,p.421-437]

[7]Locationinpatent:schemeortableWard,SimonE.;Eddershaw,Peter;Flynn,SeanT.;Gordon,Laurie;Lovell,PeterJ.;Moore,SusanH.;Scott,ClaireM.;Smith,PaulW.;Thewlis,KevinM.;Wyman,PaulA.[BioorganicandMedicinalChemistryLetters,2009,vol.19,#2,p.428-432]

[8]Kennedy,Gordon;Perboni,AlcideD.[TetrahedronLetters,1996,vol.37,#42,p.7611-7614]

[9]CurrentPatentAssignee:IDEMITSUKOSANCOLTD-EP1182183,2002,A1Locationinpatent:Page36

[10]CurrentPatentAssignee:IDEMITSUKOSANCOLTD-EP1182183,2002,A1Locationinpatent:Page39

[11]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-US2009/203677,2009,A1Locationinpatent:Page/Pagecolumn85

128833-03-4 | Phosphonic acid, P-[(3-bromophenyl)methyl]-, diethyl ester