Name: Name:1-(tert-Butoxy)-4-nitrobenzene
Brand: AABLOCKS
SKU: AA002KZO
Rating: 90 (10 reviews)

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

Complexity: 196

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 14

Hydrogen Bond Acceptor Count: 3

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 2

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 3

Downstream Synthesis Route

2109-72-0

57120-36-2

[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]

350-46-9

75-65-0

2109-72-0

[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]

100-02-7

98946-18-0

2109-72-0

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

2109-72-0

865-47-4

83747-11-9

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

2109-72-0

73731-37-0

89025-00-3

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

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