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5176-28-3,MFCD22665839
Catalog No.:AA00DB48

5176-28-3 | tert-Butyl 11-azatricyclo[6.2.1.0(2,7)]undeca-2,4,6,9-tetraene-11-carboxylate

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100mg
95%
in stock  
$124.00   $87.00
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250mg
95%
in stock  
$213.00   $149.00
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500mg
95%
in stock  
$335.00   $234.00
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1g
95%
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$605.00   $423.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00DB48
Chemical Name:
tert-Butyl 11-azatricyclo[6.2.1.0(2,7)]undeca-2,4,6,9-tetraene-11-carboxylate
CAS Number:
5176-28-3
Molecular Formula:
C15H17NO2
Molecular Weight:
243.3010
MDL Number:
MFCD22665839
SMILES:
O=C(N1C2C=CC1c1c2cccc1)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
360  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
2  
XLogP3:
2.8  

Downstream Synthesis Route

[1]Carpino,LouisA.;Padykula,RobertE.;Barr,DonaldE.;Hall,FrancesH.;Krause,JosefG.;etal.[JournalofOrganicChemistry,1988,vol.53,#11,p.2565-2572]

[2]Otani,Yuko;Nagae,Osamu;Naruse,Yuji;Inagaki,Satoshi;Ohno,Masashi;Yamaguchi,Kentaro;Yamamoto,Gaku;Uchiyama,Masanobu;Ohwada,Tomohiko[JournaloftheAmericanChemicalSociety,2003,vol.125,#49,p.15191-15199]

[3]CurrentPatentAssignee:BLUEOAKPHARMACEUTICALSINC;BLUEOAKPHARMACEUTICALS-WO2021/138315,2021,A1Locationinpatent:Paragraph0253-0254

[4]CurrentPatentAssignee:SINOBIOPHARMACEUTICALLIMITED-EP3248968,2017,A1Locationinpatent:Paragraph0077

[5]Koren,A.O.;Horti,A.G.;Kimes,A.;Scheffel,U.;Ravert,H.T.;etal.[Journaloflabelledcompoundsandradiopharmaceuticals,1997,vol.40,p.518]

[1]Sasaki,Tadashi;Manabe,Takashi;Wakabayashi,Etsuo[Tetrahedron,1980,vol.36,#88,p.2119-2124]

[1]JournalofOrganicChemistry,1980,vol.45,p.479-482

116195-81-4    5176-28-3   
(1S,2S,4R)-2-(5-Iodo-pyridin-2-yl)-1,2,3,4-tetrahydro-1,4-epiazano-naphthalene-9-carboxylicacidtert-butylester 

[1]Koren,A.O.;Horti,A.G.;Kimes,A.;Scheffel,U.;Ravert,H.T.;etal.[Journaloflabelledcompoundsandradiopharmaceuticals,1997,vol.40,p.518]

5176-28-3    129271-98-3   
(1S,2R)-2-(1-benzenesulfonyl-1H-indol-3-yl)-1,2-dihydro-naphthalen-1-ylcarbamicacidtert-butylester 

[1]OrganicLetters,2003,vol.5,p.3695-3698

Literature
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Tags:5176-28-3 Molecular Formula|5176-28-3 MDL|5176-28-3 SMILES|5176-28-3 tert-Butyl 11-azatricyclo[6.2.1.0(2,7)]undeca-2,4,6,9-tetraene-11-carboxylate