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869494-16-6,MFCD17016736
Catalog No.:AA0036AB

869494-16-6 | tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$6.00   $4.00
- +
250mg
97%
in stock  
$8.00   $6.00
- +
1g
97%
in stock  
$13.00   $9.00
- +
5g
98%
in stock  
$49.00   $34.00
- +
10g
98%
in stock  
$96.00   $67.00
- +
25g
98%
in stock  
$199.00   $139.00
- +
250g
95%
in stock  
$1,840.00   $1,288.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0036AB
Chemical Name:
tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
CAS Number:
869494-16-6
Molecular Formula:
C10H18N2O2
Molecular Weight:
198.2621
MDL Number:
MFCD17016736
SMILES:
O=C(N1C2CNCC1C2)OC(C)(C)C
Properties
Properties
 
BP:
276℃  
Form:
Solid  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
237  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
2  
XLogP3:
0.7  

Upstream Synthesis Route

[1]TetrahedronLetters,2012,vol.53,#47,p.6332-6334

[1]Patent:WO2005/108402,2005,A1,

[1]Patent:WO2005/108402,2005,A1,

[1]Patent:WO2005/108402,2005,A1,

[1]TetrahedronLetters,2012,vol.53,#47,p.6332-6334

Downstream Synthesis Route

[1]TetrahedronLetters,2012,vol.53,p.6332-6334

869494-16-6    2457-47-8   
tert-butyl3-(5-chloropyridin-3-yl)-3,6-diazabicyclo3.1.1heptane-6-carboxylate 

[1]Deligia,Francesco;Deiana,Valeria;Gotti,Cecilia;Lazzari,Paolo;Bottazzi,MirkoE.H.;Pucci,Luca;Fasoli,Francesca;Ragusa,Giulio;Pinna,GerardA.;Murineddu,Gabriele[EuropeanJournalofMedicinalChemistry,2015,vol.103,p.429-437]

[2]Deligia,Francesco;Murineddu,Gabriele;Gotti,Cecilia;Ragusa,Giulio;Fasoli,Francesca;Sciaccaluga,Miriam;Plutino,Simona;Fucile,Sergio;Loriga,Giovanni;Asproni,Battistina;Pinna,GerardA.[EuropeanJournalofMedicinalChemistry,2018,vol.152,p.401-416]

[1]CurrentPatentAssignee:PFIZERINC;ELILILLY&CO-WO2018/71447,2018,A1Locationinpatent:Paragraph001278;001279;001280

869494-16-6    444120-95-0   
(6-(6-(tert-butoxycarbonyl)-3,6-diazabicyclo3.1.1heptan-3-yl)pyridin-3-yl)boronicacid 

[1]Patent:WO2018/71447,2018,A1.Locationinpatent:Paragraph001222;001223;001227;001228

[2]Patent:WO2018/136661,2018,A1.Locationinpatent:Paragraph00891

869494-16-6    19745-07-4   
tert-butyl3-(5-chloropyrazin-2-yl)-3,6-diazabicyclo3.1.1heptane-6-carboxylate 

[1]Patent:WO2018/71447,2018,A1.Locationinpatent:Paragraph001258;001259

Literature
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SDS
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Tags:869494-16-6 Molecular Formula|869494-16-6 MDL|869494-16-6 SMILES|869494-16-6 tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate