Home Nitro Compounds 2109-72-0
2109-72-0,MFCD28101703
Catalog No.:AA002KZO

2109-72-0 | 1-(tert-Butoxy)-4-nitrobenzene

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  • Downstream Synthesis Route
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Technical Information
Catalog Number:
AA002KZO
Chemical Name:
1-(tert-Butoxy)-4-nitrobenzene
CAS Number:
2109-72-0
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
MDL Number:
MFCD28101703
SMILES:
CC(Oc1ccc(cc1)[N+](=O)[O-])(C)C
Properties
Computed Properties
 
Complexity:
196  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
2  
XLogP3:
3  

Downstream Synthesis Route

[1]Bowden;Green[JournaloftheChemicalSociety,1954,p.1795,1797]

[2]Kawamatsu;Asakawa;Saraie;Mizuno;Imamiya;Nishikawa;Hamuro[Arzneimittel-Forschung/DrugResearch,1980,vol.30,#5,p.751-758]

[3]Ramlall,Pratima;McClelland,RobertA.[JournaloftheChemicalSociety.PerkinTransactions2(2001),1999,#2,p.225-232]

[4]Locationinpatent:experimentalpartGujjar,Ramesh;ElMazouni,Farah;White,KarenL.;White,John;Creason,Sharon;Shackleford,DavidM.;Deng,Xiaoyi;Charman,WilliamN.;Bathurst,Ian;Burrows,Jeremy;Floyd,DavidM.;Matthews,David;Buckner,FrederickS.;Charman,SusanA.;Phillips,MargaretA.;Rathod,PradipsinhK.[JournalofMedicinalChemistry,2011,vol.54,#11,p.3935-3949]

[5]Yu,Ming-cheng;Yang,Feng;Ding,Xiao-yu;Sun,Nan-nan;Jiang,Zheng-yuan;Huang,Ya-fei;Yan,Yu-rong;Zhu,Chen;Xie,Qiong;Chen,Zhi-feng;Guo,Si-qi;Jiang,Hua-liang;Chen,Kai-xian;Luo,Cheng;Luo,Xiao-min;Chen,Shi-jie;Wang,Yong-hui[ActaPharmacologicaSinica,2021,vol.42,#9,p.1524-1534]

[1]Woiwode,ThomasF.;Rose,Christoph;Wandless,ThomasJ.[JournalofOrganicChemistry,1998,vol.63,#25,p.9594-9596]

[2]Bunce,RichardA.;Easton,KerryM.[OrganicPreparationsandProceduresInternational,2004,vol.36,#1,p.76-81]

[3]Kawamatsu;Asakawa;Saraie;Mizuno;Imamiya;Nishikawa;Hamuro[Arzneimittel-Forschung/DrugResearch,1980,vol.30,#5,p.751-758]

[4]Baddeleyetal.[JournaloftheChemicalSociety,1956,p.2455,246]Bowden;Green[JournaloftheChemicalSociety,1954,p.1795,1797]

[5]Ramlall,Pratima;McClelland,RobertA.[JournaloftheChemicalSociety.PerkinTransactions2(2001),1999,#2,p.225-232]

[1]Armstrong,Alan;Brackenridge,Ian;Jackson,RichardF.W.;Kirk,JoannaM.[TetrahedronLetters,1988,vol.29,#20,p.2483-2486]

[1]Guthrie,RobertD.;Nutter,DaleE.[JournaloftheAmericanChemicalSociety,1982,vol.104,#26,p.7478-7482]

[1]Ferrari,B.;Pavia,A.A.[Tetrahedron,1985,vol.41,#10,p.1939-1944]

Literature
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Tags:2109-72-0 Molecular Formula|2109-72-0 MDL|2109-72-0 SMILES|2109-72-0 1-(tert-Butoxy)-4-nitrobenzene