Home Nitro Compounds 17076-68-5
17076-68-5,MFCD00443712
Catalog No.:AA00AKX6

17076-68-5 | 4-(4-Nitrophenoxy)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$80.00   $56.00
- +
5g
98%
in stock  
$220.00   $154.00
- +
10g
98%
in stock  
$324.00   $227.00
- +
25g
98%
in stock  
$638.00   $447.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00AKX6
Chemical Name:
4-(4-Nitrophenoxy)benzonitrile
CAS Number:
17076-68-5
Molecular Formula:
C13H8N2O3
Molecular Weight:
240.2142
MDL Number:
MFCD00443712
SMILES:
N#Cc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Properties
 
BP:
391.6°C at 760 mmHg  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
328  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
2  
XLogP3:
2.7  

Downstream Synthesis Route

[1]Sairaman,Anjali;Cardoso,FernandaCaldas;Bispat,Anjie;Lewis,RichardJ.;Duggan,PeterJ.;Tuck,KellieL.[BioorganicandMedicinalChemistry,2018,vol.26,#11,p.3046-3059]

[2]Wilcox,CraigS.[TetrahedronLetters,1985,vol.26,#47,p.5749-5752]

[3]Comeau,AnthonyB.;Critton,DavidA.;Page,Rebecca;Seto,ChristopherT.[JournalofMedicinalChemistry,2010,vol.53,#18,p.6768-6772]

[4]CurrentPatentAssignee:ASTRAZENECAPLC-WO2005/102997,2005,A1Locationinpatent:Page/Pagecolumn61-62

[5]CurrentPatentAssignee:JOSEPHYKLEIN;INSIGHTBIOPHARMACEUTICALS-US2007/185176,2007,A1Locationinpatent:Page/Pagecolumn23-24

[6]Dey,Archan;Desiraju,GautamR.[ChemicalCommunications,2005,#19,p.2486-2488]

[7]Wada;Holms;Curtin;Dai;Florjancic;Garland;Guo;Heyman;Stacey;Steinman;Albert;Bouska;Elmore;Goodfellow;Marcotte;Tapang;Morgan;Michaelides;Davidsen[JournalofMedicinalChemistry,2002,vol.45,#1,p.219-232]

[8]Yang,Liuqing;Liu,Wei;Mei,Hanbing;Zhang,Yuan;Yu,Xiaojuan;Xu,Yufang;Li,Honglin;Huang,Jin;Zhao,Zhenjiang[MedChemComm,2015,vol.6,#4,p.671-676]

[9]Cheng,Hua;Shen,Yan-Qing;Pan,Xia-Yan;Hou,Yi-Ping;Wu,Qiong-You;Yang,Guang-Fu[NewJournalofChemistry,2015,vol.39,#9,p.7281-7292]

[1]Keipour,Hoda;Hosseini,Abolfazl;Afsari,Amir;Oladee,Razieh;Khalilzadeh,MohammadA.;Ollevier,Thierry[CanadianJournalofChemistry,2015,vol.94,#1,p.95-104]

[2]Sairaman,Anjali;Cardoso,FernandaCaldas;Bispat,Anjie;Lewis,RichardJ.;Duggan,PeterJ.;Tuck,KellieL.[BioorganicandMedicinalChemistry,2018,vol.26,#11,p.3046-3059]

[3]Wilcox,CraigS.[TetrahedronLetters,1985,vol.26,#47,p.5749-5752]

[4]CurrentPatentAssignee:ASTRAZENECAPLC-WO2005/102997,2005,A1Locationinpatent:Page/Pagecolumn61

[5]Yang,Liuqing;Liu,Wei;Mei,Hanbing;Zhang,Yuan;Yu,Xiaojuan;Xu,Yufang;Li,Honglin;Huang,Jin;Zhao,Zhenjiang[MedChemComm,2015,vol.6,#4,p.671-676]

[6]Locationinpatent:experimentalpartKhalilzadeh,MohammadA.;Hosseini,Abolfazl;Pilevar,Afsaneh[EuropeanJournalofOrganicChemistry,2011,#8,p.1587-1592]

[7]CurrentPatentAssignee:JOSEPHYKLEIN;INSIGHTBIOPHARMACEUTICALS-US2007/185176,2007,A1Locationinpatent:Page/Pagecolumn23-24

[8]Dey,Archan;Desiraju,GautamR.[ChemicalCommunications,2005,#19,p.2486-2488]

[9]Wada;Holms;Curtin;Dai;Florjancic;Garland;Guo;Heyman;Stacey;Steinman;Albert;Bouska;Elmore;Goodfellow;Marcotte;Tapang;Morgan;Michaelides;Davidsen[JournalofMedicinalChemistry,2002,vol.45,#1,p.219-232]

[10]Cheng,Hua;Shen,Yan-Qing;Pan,Xia-Yan;Hou,Yi-Ping;Wu,Qiong-You;Yang,Guang-Fu[NewJournalofChemistry,2015,vol.39,#9,p.7281-7292]

[1]Li,Feng;Meng,Qingqing;Chen,Huansheng;Li,Zhiming;Wang,Quanrui;Tao,Fenggang[Synthesis,2005,#8,p.1305-1313]

Literature
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