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459417-40-4,MFCD21362344
Catalog No.:AA00I8H0

459417-40-4 | Di-tert-butyl 6-oxo-1,4-diazepane-1,4-dicarboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$30.00   $21.00
- +
250mg
95%
in stock  
$70.00   $49.00
- +
500mg
95%
in stock  
$138.00   $96.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00I8H0
Chemical Name:
Di-tert-butyl 6-oxo-1,4-diazepane-1,4-dicarboxylate
CAS Number:
459417-40-4
Molecular Formula:
C15H26N2O5
Molecular Weight:
314.3773
MDL Number:
MFCD21362344
SMILES:
O=C(N1CCN(CC(=O)C1)C(=O)OC(C)(C)C)OC(C)(C)C
Properties
Properties
 
BP:
410.2±35.0 °C(Predicted)  
Form:
Solid  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
408  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
4  
XLogP3:
1.6  

Downstream Synthesis Route
di-tert-butyl6-methylene-1,4-diazepane-1,4-dicarboxylate 
  459417-40-4 

[1]CurrentPatentAssignee:BICYCLETHERAPEUTICSLIMITED-US2020/131228,2020,A1Locationinpatent:Paragraph0495;0498

[2]Watson,DavidW.;Gill,Matthew;Kemmitt,Paul;Lamont,ScottG.;Popescu,MihaiV.;Simpson,Iain[TetrahedronLetters,2018,vol.59,#51,p.4479-4482]

[1]Watson,DavidW.;Gill,Matthew;Kemmitt,Paul;Lamont,ScottG.;Popescu,MihaiV.;Simpson,Iain[TetrahedronLetters,2018,vol.59,#51,p.4479-4482]

[2]Zhao,Kuo;Yamashita,Kenji;Carpenter,JosephE.;Sherwood,TrevorC.;Ewing,WilliamR.;Cheng,PeterT.W.;Knowles,RobertR.[JournaloftheAmericanChemicalSociety,2019,vol.141,#22,p.8752-8757]

[3]CurrentPatentAssignee:BICYCLETHERAPEUTICSLIMITED-US2020/131228,2020,A1

[1]Watson,DavidW.;Gill,Matthew;Kemmitt,Paul;Lamont,ScottG.;Popescu,MihaiV.;Simpson,Iain[TetrahedronLetters,2018,vol.59,#51,p.4479-4482]

[2]CurrentPatentAssignee:BICYCLETHERAPEUTICSLIMITED-US2020/131228,2020,A1

459417-40-4    3536-96-7   
di-tert-butyl6-hydroxy-6-vinyl-1,4-diazepane-1,4-dicarboxylate 

[1]Zhao,Kuo;Yamashita,Kenji;Carpenter,JosephE.;Sherwood,TrevorC.;Ewing,WilliamR.;Cheng,PeterT.W.;Knowles,RobertR.[JournaloftheAmericanChemicalSociety,2019,vol.141,#22,p.8752-8757]

[1]Zhao,Kuo;Yamashita,Kenji;Carpenter,JosephE.;Sherwood,TrevorC.;Ewing,WilliamR.;Cheng,PeterT.W.;Knowles,RobertR.[JournaloftheAmericanChemicalSociety,2019,vol.141,#22,p.8752-8757]

Literature
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SDS
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Tags:459417-40-4 Molecular Formula|459417-40-4 MDL|459417-40-4 SMILES|459417-40-4 Di-tert-butyl 6-oxo-1,4-diazepane-1,4-dicarboxylate