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181873-33-6,MFCD31579962
Catalog No.:AA01DK23

181873-33-6 | 7-Tert-Butyl 2-Methyl 3-Bromo-7-Azabicyclo[2.2.1]Hepta-2,5-Diene-2,7-Dicarboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$292.00   $204.00
- +
250mg
95%
in stock  
$505.00   $353.00
- +
500mg
95%
in stock  
$791.00   $554.00
- +
1g
95%
in stock  
$1,298.00   $909.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01DK23
Chemical Name:
7-Tert-Butyl 2-Methyl 3-Bromo-7-Azabicyclo[2.2.1]Hepta-2,5-Diene-2,7-Dicarboxylate
CAS Number:
181873-33-6
Molecular Formula:
C13H16BrNO4
Molecular Weight:
330.1744
MDL Number:
MFCD31579962
SMILES:
COC(=O)C1=C(Br)C2N(C1C=C2)C(=O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
489  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2  

Downstream Synthesis Route

[1]JournalofOrganicChemistry,1996,vol.61,p.7189-7191

[2]Patent:US2003/236264,2003,A1.Locationinpatent:Page44

[3]Patent:US2003/236270,2003,A1.Locationinpatent:Page33

[4]JournalofOrganicChemistry,2010,vol.75,p.3133-3136

[5]Tetrahedron,2006,vol.62,p.11635-11644

[6]BioorganicandMedicinalChemistryLetters,2017,vol.27,p.4979-4984

[7]BioorganicandMedicinalChemistry,2007,vol.15,p.5262-5274

[8]Patent:US2014/179680,2014,A1.Locationinpatent:Paragraph0757

[9]Patent:EP2813505,2014,A1.Locationinpatent:Paragraph0106

[1]Teng,Mingxing;Wu,Wentao;Li,Zhixiang;Yang,Guangwen;Qin,Jian;Wang,Yikai;Hu,Zhijing;Dong,Haiheng;Hou,Lijuan;Hu,Guoping;Shen,Liang;Zhang,Yang;Li,Jian;Chen,Shuhui;Tian,Jingwei;Ye,Liang;Zhang,Jianzhao;Wang,Hongbo[BioorganicandMedicinalChemistryLetters,2017,vol.27,#22,p.4979-4984]

[2]Christensen,HelenaS.;Boye,SorenV.;Thinggaard,Jacob;Sinning,Steffen;Wiborg,Ove;Schiott,Birgit;Bols,Mikael[BioorganicandMedicinalChemistry,2007,vol.15,#15,p.5262-5274]

[1]Otani,Yuko;Futaki,Shiroh;Kiwada,Tatsuto;Sugiura,Yukio;Muranaka,Atsuya;Kobayashi,Nagao;Uchiyama,Masanobu;Yamaguchi,Kentaro;Ohwada,Tomohiko[Tetrahedron,2006,vol.62,#50,p.11635-11644]

[1]JournalofOrganicChemistry,1996,vol.61,p.7189-7191

N-tert-butyloxypyrrole 
  23680-40-2    181873-33-6 

[1]Patent:WO2004/39815,2004,A2.Locationinpatent:Page44-45

[2]Patent:WO2004/52889,2004,A1.Locationinpatent:Page53

Literature
Quotation Request
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SDS
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Tags:181873-33-6 Molecular Formula|181873-33-6 MDL|181873-33-6 SMILES|181873-33-6 7-Tert-Butyl 2-Methyl 3-Bromo-7-Azabicyclo[2.2.1]Hepta-2,5-Diene-2,7-Dicarboxylate
Catalog No.: AA01DK23
181873-33-6,MFCD31579962
181873-33-6 | 7-Tert-Butyl 2-Methyl 3-Bromo-7-Azabicyclo[2.2.1]Hepta-2,5-Diene-2,7-Dicarboxylate
Pack Size： 100mg
Purity： 95%
in stock
$292.00 $204.00
Pack Size： 250mg
Purity： 95%
in stock
$505.00 $353.00
Pack Size： 500mg
Purity： 95%
in stock
$791.00 $554.00
Pack Size： 1g
Purity： 95%
in stock
$1,298.00 $909.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA01DK23
Chemical Name: 7-Tert-Butyl 2-Methyl 3-Bromo-7-Azabicyclo[2.2.1]Hepta-2,5-Diene-2,7-Dicarboxylate
CAS Number: 181873-33-6
Molecular Formula: C13H16BrNO4
Molecular Weight: 330.1744
MDL Number: MFCD31579962
SMILES: COC(=O)C1=C(Br)C2N(C1C=C2)C(=O)OC(C)(C)C
Properties
Complexity: 489  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 19  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 2  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2  
Downstream Synthesis Route
5176-27-2    23680-40-2    181873-33-6 

[1]JournalofOrganicChemistry,1996,vol.61,p.7189-7191

[2]Patent:US2003/236264,2003,A1.Locationinpatent:Page44

[3]Patent:US2003/236270,2003,A1.Locationinpatent:Page33

[4]JournalofOrganicChemistry,2010,vol.75,p.3133-3136

[5]Tetrahedron,2006,vol.62,p.11635-11644

[6]BioorganicandMedicinalChemistryLetters,2017,vol.27,p.4979-4984

[7]BioorganicandMedicinalChemistry,2007,vol.15,p.5262-5274

[8]Patent:US2014/179680,2014,A1.Locationinpatent:Paragraph0757

[9]Patent:EP2813505,2014,A1.Locationinpatent:Paragraph0106

181873-33-6    197080-71-0 

[1]Teng,Mingxing;Wu,Wentao;Li,Zhixiang;Yang,Guangwen;Qin,Jian;Wang,Yikai;Hu,Zhijing;Dong,Haiheng;Hou,Lijuan;Hu,Guoping;Shen,Liang;Zhang,Yang;Li,Jian;Chen,Shuhui;Tian,Jingwei;Ye,Liang;Zhang,Jianzhao;Wang,Hongbo[BioorganicandMedicinalChemistryLetters,2017,vol.27,#22,p.4979-4984]

[2]Christensen,HelenaS.;Boye,SorenV.;Thinggaard,Jacob;Sinning,Steffen;Wiborg,Ove;Schiott,Birgit;Bols,Mikael[BioorganicandMedicinalChemistry,2007,vol.15,#15,p.5262-5274]

181873-33-6    918411-46-8 

[1]Otani,Yuko;Futaki,Shiroh;Kiwada,Tatsuto;Sugiura,Yukio;Muranaka,Atsuya;Kobayashi,Nagao;Uchiyama,Masanobu;Yamaguchi,Kentaro;Ohwada,Tomohiko[Tetrahedron,2006,vol.62,#50,p.11635-11644]

181873-33-6    152533-47-6 

[1]JournalofOrganicChemistry,1996,vol.61,p.7189-7191

N-tert-butyloxypyrrole 
  23680-40-2    181873-33-6 

[1]Patent:WO2004/39815,2004,A2.Locationinpatent:Page44-45

[2]Patent:WO2004/52889,2004,A1.Locationinpatent:Page53

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