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4720-72-3,MFCD00119015
Catalog No.:AA0071H1

4720-72-3 | N-Hydroxy-1,3-benzodioxole-5-carboximidamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$13.00   $9.00
- +
1g
95%
in stock  
$42.00   $29.00
- +
5g
95%
in stock  
$133.00   $93.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0071H1
Chemical Name:
N-Hydroxy-1,3-benzodioxole-5-carboximidamide
CAS Number:
4720-72-3
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
MDL Number:
MFCD00119015
SMILES:
ONC(=N)c1ccc2c(c1)OCO2
Properties
Computed Properties
 
Complexity:
219  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
0.7  

Downstream Synthesis Route

[1]CurrentPatentAssignee:VIROCURATHERAPEUTICS-US2015/133495,2015,A1Locationinpatent:Paragraph0164;0165

[2]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2013/107336,2013,A1Locationinpatent:Page/Pagecolumn17

[3]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-US2015/80380,2015,A1Locationinpatent:Paragraph0081;0133;0134

[4]Marcus[ChemischeBerichte,1891,vol.24,p.3652]

[5]Andrewes;King;Walker[ProceedingsoftheRoyalSocietyofLondon.SeriesB,Biologicalsciences,1946,vol.133,p.20,30]

[6]Angeli;Malagnini[GazzettaChimicaItaliana,1894,vol.24II,p.136,139]

[7]Yu,Xiaolong;Chen,Kehao;Yang,Fan;Zha,Shanke;Zhu,Jin[OrganicLetters,2016,vol.18,#20,p.5412-5415]

[8]Wu,Weiping;Fan,Shuaixin;Li,Tielei;Fang,Lili;Chu,Benfa;Zhu,Jin[OrganicLetters,2021,vol.23,#15,p.5652-5657]

[9]Abdelhamid,AntarA.;Gomaa,HeshamA.M.;Gouda,AhmedM.;Kamal,Islam;Marzouk,AdelA.;Moustafa,AmrH.;Youssif,BahaaG.M.[JournalofMolecularStructure,2022,vol.1253]

4720-72-3    717110-11-7   
(3R,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxylicacid{benzo1,3dioxol-5-yl-(Z)-hydroxyimino-methyl}-amide 

[1]Petukhov,PavelA.;Zhang,Mei;Johnson,KennethJ.;Tella,SrihariR.;Kozikowski,AlanP.[BioorganicandMedicinalChemistryLetters,2001,vol.11,#16,p.2079-2083]

4720-72-3    696660-34-1   
(3S,4R)-4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxylicacid{benzo1,3dioxol-5-yl-(Z)-hydroxyimino-methyl}-amide 

[1]Petukhov,PavelA.;Zhang,Mei;Johnson,KennethJ.;Tella,SrihariR.;Kozikowski,AlanP.[BioorganicandMedicinalChemistryLetters,2001,vol.11,#16,p.2079-2083]

4720-72-3    717111-93-8   
(3R,4S)-3-(3-Benzo1,3dioxol-5-yl-1,2,4oxadiazol-5-ylmethyl)-4-(4-chloro-phenyl)-1-methyl-piperidine 

[1]Petukhov,PavelA.;Zhang,Jianrong;Wang,ChengZ.;Ye,YanPing;Johnson,KennethM.;Kozikowski,AlanP.[JournalofMedicinalChemistry,2004,vol.47,#12,p.3009-3018]

[1]Koryakova,AngelaG.;Ivanenkov,YanA.;Ryzhova,ElenaA.;Bulanova,ElenaA.;Karapetian,RubenN.;Mikitas,OlgaV.;Katrukha,EugenyA.;Kazey,VasilyI.;Okun,Ilya;Kravchenko,DmitryV.;Lavrovsky,YanV.;Korzinov,OlegM.;Ivachtchenko,AlexandreV.[BioorganicandMedicinalChemistryLetters,2008,vol.18,#12,p.3661-3666]

Literature
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SDS
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