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1250997-05-7,MFCD18089871
Catalog No.:AA000N24

1250997-05-7 | 2-Azabicyclo[2.2.2]octane-2,6-dicarboxylic acid 2-tertbutyl ester

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100mg
97%
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$6,649.00   $4,654.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000N24
Chemical Name:
2-Azabicyclo[2.2.2]octane-2,6-dicarboxylic acid 2-tertbutyl ester
CAS Number:
1250997-05-7
Molecular Formula:
C13H20NO4-
Molecular Weight:
254.3022
MDL Number:
MFCD18089871
SMILES:
[O-]C(=O)C1CC2CCC1N(C2)C(=O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
361  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
3  
XLogP3:
1.6  

Downstream Synthesis Route
2-tert-butyl6-methyl(1R*,4S*)-2-azabicyclo2.2.2octane-2,6-dicarboxylate 
  1250997-05-7 

[1]Locationinpatent:experimentalpartSasaki,Takahide;Nagase,Tsuyoshi;Takahashi,Toshiyuki;Nagumo,Akira;Shimamura,Ken;Miyamoto,Yasuhisa;Kitazawa,Hidefumi;Kanesaka,Maki;Yoshimoto,Ryo;Aragane,Katsumi;Tokita,Shigeru;Sato,Nagaaki[BioorganicandMedicinalChemistry,2009,vol.17,#15,p.5639-5647]

1250997-05-7    7664-66-6   
tert-butyl(1R*,4S*,6R*)-(+/-)-6-4-(propan-2-yloxy)phenylcarbamoyl}-2-azabicyclo2.2.2octane-2-carboxylate 

[1]Locationinpatent:experimentalpartSasaki,Takahide;Nagase,Tsuyoshi;Takahashi,Toshiyuki;Nagumo,Akira;Shimamura,Ken;Miyamoto,Yasuhisa;Kitazawa,Hidefumi;Kanesaka,Maki;Yoshimoto,Ryo;Aragane,Katsumi;Tokita,Shigeru;Sato,Nagaaki[BioorganicandMedicinalChemistry,2009,vol.17,#15,p.5639-5647]

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Tags:1250997-05-7 Molecular Formula|1250997-05-7 MDL|1250997-05-7 SMILES|1250997-05-7 2-Azabicyclo[2.2.2]octane-2,6-dicarboxylic acid 2-tertbutyl ester