Name: Name:tert-Butyl 3-nitrobenzoate
Brand: AABLOCKS
SKU: AA00E9NI
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00E9NI

Chemical Name: tert-Butyl 3-nitrobenzoate

CAS Number: 58656-99-8

Molecular Formula: C11H13NO4

Molecular Weight: 223.2252

MDL Number: MFCD02091504

SMILES: O=C(c1cccc(c1)[N+](=O)[O-])OC(C)(C)C

Properties

BP: 314.4°C at 760 mmHg

Storage: Keep in dry area;2-8℃;

Complexity: 277

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 16

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 3

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.9

Downstream Synthesis Route

58656-99-8

92146-82-2

3-hydroxyamino-benzoicacid<i>tert</i>-butylester

[1]Park,SeungBum;Standaert,RobertF.[TetrahedronLetters,1999,vol.40,#36,p.6557-6560]

774-65-2

7697-37-2

19756-72-0

58656-99-8

[1]Zaki[JournaloftheChemicalSociety,1928,p.983]

58656-99-8

92146-82-2

250684-64-1

[1]Park,SeungBum;Standaert,RobertF.[TetrahedronLetters,1999,vol.40,#36,p.6557-6560]

58656-99-8

92146-82-2

[1]Barja,BeatrizC.;Bruttomesso,AndreaC.;Eliseeva,SvetlanaV.;Petoud,Stéphane;Ramírez,JavierA.;Trupp,Leandro;Vardé,Mariana[Chemistry-AEuropeanJournal,2020,vol.26,#70,p.16900-16909]

[2]Drewe,WilliamC.;Nanjunda,Rupesh;Gunaratnam,Mekala;Beltran,Monica;Parkinson,GaryN.;Reszka,AnthonyP.;Wilson,W.David;Neidle,Stephen[JournalofMedicinalChemistry,2008,vol.51,#24,p.7751-7767]

[3]CurrentPatentAssignee:UNIVERSITYOFLONDON-WO2008/122667,2008,A2Locationinpatent:Page/Pagecolumn48-49

[4]Nakamura,Kazuhiko;Ohnishi,Yuki;Horikawa,Eiji;Konakahara,Takeo;Kodaka,Masato;Okuno,Hiroaki[TetrahedronLetters,2003,vol.44,#29,p.5445-5448]

[5]Fish,PaulV.;Barber,ChristopherG.;Brown,DavidG.;Butt,Richard;Collis,MichaelG.;Dickinson,RogerP.;Henry,BrianT.;Horne,ValerieA.;Huggins,JohnP.;King,Elizabeth;O'Gara,Margaret;McCleverty,Dawn;McIntosh,Fraser;Phillips,Christopher;Webster,Robert[JournalofMedicinalChemistry,2007,vol.50,#10,p.2341-2351]

[6]CurrentPatentAssignee:PFIZERINC-US6093731,2000,A

[7]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-US5795887,1998,A

[8]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-US5739129,1998,A

75-65-0

121-92-6

58656-99-8

[1]Barja,BeatrizC.;Bruttomesso,AndreaC.;Eliseeva,SvetlanaV.;Petoud,Stéphane;Ramírez,JavierA.;Trupp,Leandro;Vardé,Mariana[Chemistry-AEuropeanJournal,2020,vol.26,#70,p.16900-16909]

[2]Drewe,WilliamC.;Nanjunda,Rupesh;Gunaratnam,Mekala;Beltran,Monica;Parkinson,GaryN.;Reszka,AnthonyP.;Wilson,W.David;Neidle,Stephen[JournalofMedicinalChemistry,2008,vol.51,#24,p.7751-7767]

[3]CurrentPatentAssignee:UNIVERSITYOFLONDON-WO2008/122667,2008,A2Locationinpatent:Page/Pagecolumn48

[4]Hou,Fei;Wang,Xi-Cun;Quan,Zheng-Jun[OrganicandBiomolecularChemistry,2018,vol.16,#48,p.9472-9476]

[5]Nakamura,Kazuhiko;Ohnishi,Yuki;Horikawa,Eiji;Konakahara,Takeo;Kodaka,Masato;Okuno,Hiroaki[TetrahedronLetters,2003,vol.44,#29,p.5445-5448]

58656-99-8 | tert-Butyl 3-nitrobenzoate