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74448-92-3,MFCD08276330
Catalog No.:AA003K07

74448-92-3 | 4-(4-Chlorophenoxy)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$15.00   $11.00
- +
1g
98%
in stock  
$56.00   $39.00
- +
5g
98%
in stock  
$224.00   $157.00
- +
25g
97%
in stock  
$851.00   $596.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003K07
Chemical Name:
4-(4-Chlorophenoxy)benzonitrile
CAS Number:
74448-92-3
Molecular Formula:
C13H8ClNO
Molecular Weight:
229.6617
MDL Number:
MFCD08276330
SMILES:
N#Cc1ccc(cc1)Oc1ccc(cc1)Cl
Properties
Properties
 
BP:
354.8°C at 760 mmHg  
Form:
Solid  
MP:
85 °C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
256  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
3.8  

Downstream Synthesis Route

[1]Rodrigues,Tiago;Ressurreição,AnaS.;DaCruz,FilipaP.;Albuquerque,InêsS.;Gut,Jiri;Carrasco,MartaP.;Gonçalves,Daniel;Guedes,RitaC.;DosSantos,DanielJ.V.A.;Mota,MariaM.;Rosenthal,PhilipJ.;Moreira,Rui;Prudêncio,Miguel;Lopes,Francisca[EuropeanJournalofMedicinalChemistry,2013,vol.69,p.872-880]

[2]Carrasco,MartaP.;Newton,AnaS.;Gonçalves,Lídia;Góis,Ana;Machado,Marta;Gut,Jiri;Nogueira,Fátima;Hänscheid,Thomas;Guedes,RitaC.;DosSantos,DanielJ.V.A.;Rosenthal,PhilipJ.;Moreira,Rui[EuropeanJournalofMedicinalChemistry,2014,vol.80,p.523-534]

[3]Carrasco,MartaP.;Machado,Marta;Gonçalves,Lídia;Sharma,Moni;Gut,Jiri;Lukens,AmandaK.;Wirth,DyannF.;André,Vânia;Duarte,MariaTeresa;Guedes,RitaC.;dosSantos,DanielJ.V.A.;Rosenthal,PhilipJ.;Mazitschek,Ralph;Prudêncio,Miguel;Moreira,Rui[ChemMedChem,2016,p.2194-2204]

[4]CurrentPatentAssignee:NOVARTISAG;Novartis(w/oSandoz)-CH214901,1939,A

[1]Patent:CH214901,1939,

[1]Rodrigues,Tiago;Ressurreição,AnaS.;DaCruz,FilipaP.;Albuquerque,InêsS.;Gut,Jiri;Carrasco,MartaP.;Gonçalves,Daniel;Guedes,RitaC.;DosSantos,DanielJ.V.A.;Mota,MariaM.;Rosenthal,PhilipJ.;Moreira,Rui;Prudêncio,Miguel;Lopes,Francisca[EuropeanJournalofMedicinalChemistry,2013,vol.69,p.872-880]

[2]Lee,YunSuk;Kim,Hee;Kim,Young-Ho;Roh,EunJoo;Han,Hogyu;Shin,KyeJung[BioorganicandMedicinalChemistryLetters,2012,vol.22,#24,p.7555-7561]

[3]Carrasco,MartaP.;Newton,AnaS.;Gonçalves,Lídia;Góis,Ana;Machado,Marta;Gut,Jiri;Nogueira,Fátima;Hänscheid,Thomas;Guedes,RitaC.;DosSantos,DanielJ.V.A.;Rosenthal,PhilipJ.;Moreira,Rui[EuropeanJournalofMedicinalChemistry,2014,vol.80,p.523-534]

[4]Carrasco,MartaP.;Machado,Marta;Gonçalves,Lídia;Sharma,Moni;Gut,Jiri;Lukens,AmandaK.;Wirth,DyannF.;André,Vânia;Duarte,MariaTeresa;Guedes,RitaC.;dosSantos,DanielJ.V.A.;Rosenthal,PhilipJ.;Mazitschek,Ralph;Prudêncio,Miguel;Moreira,Rui[ChemMedChem,2016,p.2194-2204]

[5]Li,Feng;Wang,Quanrui;Ding,Zongbiao;Tao,Fenggang[OrganicLetters,2003,vol.5,#12,p.2169-2171]Li,Feng;Meng,Qingqing;Chen,Huansheng;Li,Zhiming;Wang,Quanrui;Tao,Fenggang[Synthesis,2005,#8,p.1305-1313]

[6]Huang,Junyang;Huang,Yunyuan;Li,Jian;Li,Wangsheng;Li,Xiaokang;Sun,Annan;Wang,Lan;Wang,Wei;Xu,Yixiang;Zhang,Chao;Zhang,Haiyan;Zhu,Jin[EuropeanJournalofMedicinalChemistry,2022,vol.236]

[7]Huang,Junyang;Huang,Yunyuan;Li,Jian;Li,Wangsheng;Li,Xiaokang;Sun,Annan;Wang,Lan;Wang,Wei;Xu,Yixiang;Zhang,Chao;Zhang,Haiyan;Zhu,Jin[EuropeanJournalofMedicinalChemistry,2022,vol.236]

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

[9]Lele,ArundhatiC.;Raju,Archana;Khambete,MihirP.;Ray;Rajan;Arkile,ManishaA.;Jadhav,NandadeepJ.;Sarkar,Dhiman;Degani,MariamS.[ACSMedicinalChemistryLetters,2015,vol.6,#11,p.1140-1144]

[1]Burgos,CarlosH.;Barder,TimothyE.;Huang,Xiaohua;Buchwald,StephenL.[AngewandteChemie-InternationalEdition,2006,vol.45,#26,p.4321-4326]

[2]Mohammadinezhad,Arezou;Akhlaghinia,Batool[CatalysisLetters,2020,vol.150,#2,p.332-352]

[3]Salvi,Luca;Davis,NicoleR.;Ali,SirajZ.;Buchwald,StephenL.[OrganicLetters,2012,vol.14,#1,p.170-173]

[4]Navarro,Lorena;Pujol,M.Dolors[TetrahedronLetters,2015,vol.56,#14,p.1812-1815]

[5]Li,Feng;Wang,Quanrui;Ding,Zongbiao;Tao,Fenggang[OrganicLetters,2003,vol.5,#12,p.2169-2171]Li,Feng;Meng,Qingqing;Chen,Huansheng;Li,Zhiming;Wang,Quanrui;Tao,Fenggang[Synthesis,2005,#8,p.1305-1313]

[6]Asachenko,AndreyF.;Bogachev,VasiliiN.;Cherkashchenko,IliaR.;Lavrov,KonstantinV.;Minaeva,LidiyaI.;Nechaev,MikhailS.;Rzhevskiy,SergeyA.;Sterligov,GrigoriiK.;Topchiy,MaximA.[MendeleevCommunications,2021,vol.31,#3,p.409-411]

[7]Gallardo-Macias,Ricardo;Kumar,Pradeep;Jaskowski,Mark;Richmann,Todd;Shrestha,Riju;Russo,Riccardo;Singleton,Eric;Zimmerman,MatthewD.;Ho,HsinPin;Dartois,Véronique;Connell,Nancy;Alland,David;Freundlich,JoelS.[BioorganicandMedicinalChemistryLetters,2019,vol.29,#4,p.601-606]

[1]Ghosh,Rajshekhar;Samuelson,AshokaG.[NewJournalofChemistry,2004,vol.28,#11,p.1390-1393]

Literature
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