518047-40-0,MFCD09863125
Catalog No.:AA00D8CZ

518047-40-0 | tert-Butyl 3-cyanomorpholine-4-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$252.00   $177.00
- +
1g
95%
in stock  
$554.00   $388.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00D8CZ
Chemical Name:
tert-Butyl 3-cyanomorpholine-4-carboxylate
CAS Number:
518047-40-0
Molecular Formula:
C10H16N2O3
Molecular Weight:
212.2456
MDL Number:
MFCD09863125
SMILES:
N#CC1COCCN1C(=O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
287  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.6  

Downstream Synthesis Route

[1]Pace,Paola;DiFrancesco,M.Emilia;Gardelli,Cristina;Harper,Steven;Muraglia,Ester;Nizi,Emanuela;Orvieto,Federica;Petrocchi,Alessia;Poma,Marco;Rowley,Michael;Scarpelli,Rita;Laufer,Ralph;Paz,OdalysGonzalez;Monteagudo,Edith;Bonelli,Fabio;Hazuda,Daria;Stillmock,KaraA.;Summa,Vincenzo[JournalofMedicinalChemistry,2007,vol.50,#9,p.2225-2239]

[2]Gardelli,Cristina;Nizi,Emanuela;Muraglia,Ester;Crescenzi,Benedetta;Ferrara,Marco;Orvieto,Federica;Pace,Paola;Pescatore,Giovanna;Poma,Marco;Ferreira,MariaDelRosarioRico;Scarpelli,Rita;Homnick,CarlF.;Ikemoto,Norihiro;Alfieri,Anna;Verdirame,Maria;Bonelli,Fabio;Paz,OdalysGonzalez;Taliani,Marina;Monteagudo,Edith;Pesci,Silvia;Laufer,Ralph;Felock,Peter;Stillmock,KaraA.;Hazuda,Daria;Rowley,Michael;Summa,Vincenzo[JournalofMedicinalChemistry,2007,vol.50,#20,p.4953-4975]

[1]CurrentPatentAssignee:ASTRAZENECAPLC-WO2005/80386,2005,A1Locationinpatent:Page/Pagecolumn43-44

[2]Pace,Paola;DiFrancesco,M.Emilia;Gardelli,Cristina;Harper,Steven;Muraglia,Ester;Nizi,Emanuela;Orvieto,Federica;Petrocchi,Alessia;Poma,Marco;Rowley,Michael;Scarpelli,Rita;Laufer,Ralph;Paz,OdalysGonzalez;Monteagudo,Edith;Bonelli,Fabio;Hazuda,Daria;Stillmock,KaraA.;Summa,Vincenzo[JournalofMedicinalChemistry,2007,vol.50,#9,p.2225-2239]

[3]Summa,Vincenzo;Petrocchi,Alessia;Matassa,VictorG.;Gardelli,Cristina;Muraglia,Ester;Rowley,Michael;Paz,OdalysGonzalez;Laufer,Ralph;Monteagudo,Edith;Pace,Paola[JournalofMedicinalChemistry,2006,vol.49,#23,p.6646-6649]

[1]Gardelli,Cristina;Nizi,Emanuela;Muraglia,Ester;Crescenzi,Benedetta;Ferrara,Marco;Orvieto,Federica;Pace,Paola;Pescatore,Giovanna;Poma,Marco;Ferreira,MariaDelRosarioRico;Scarpelli,Rita;Homnick,CarlF.;Ikemoto,Norihiro;Alfieri,Anna;Verdirame,Maria;Bonelli,Fabio;Paz,OdalysGonzalez;Taliani,Marina;Monteagudo,Edith;Pesci,Silvia;Laufer,Ralph;Felock,Peter;Stillmock,KaraA.;Hazuda,Daria;Rowley,Michael;Summa,Vincenzo[JournalofMedicinalChemistry,2007,vol.50,#20,p.4953-4975]

[1]Pace,Paola;DiFrancesco,M.Emilia;Gardelli,Cristina;Harper,Steven;Muraglia,Ester;Nizi,Emanuela;Orvieto,Federica;Petrocchi,Alessia;Poma,Marco;Rowley,Michael;Scarpelli,Rita;Laufer,Ralph;Paz,OdalysGonzalez;Monteagudo,Edith;Bonelli,Fabio;Hazuda,Daria;Stillmock,KaraA.;Summa,Vincenzo[JournalofMedicinalChemistry,2007,vol.50,#9,p.2225-2239]

[1]Pace,Paola;DiFrancesco,M.Emilia;Gardelli,Cristina;Harper,Steven;Muraglia,Ester;Nizi,Emanuela;Orvieto,Federica;Petrocchi,Alessia;Poma,Marco;Rowley,Michael;Scarpelli,Rita;Laufer,Ralph;Paz,OdalysGonzalez;Monteagudo,Edith;Bonelli,Fabio;Hazuda,Daria;Stillmock,KaraA.;Summa,Vincenzo[JournalofMedicinalChemistry,2007,vol.50,#9,p.2225-2239]

Literature
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SDS
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Tags:518047-40-0 Molecular Formula|518047-40-0 MDL|518047-40-0 SMILES|518047-40-0 tert-Butyl 3-cyanomorpholine-4-carboxylate
Catalog No.: AA00D8CZ
518047-40-0,MFCD09863125
518047-40-0 | tert-Butyl 3-cyanomorpholine-4-carboxylate
Pack Size: 250mg
Purity: 95%
in stock
$252.00 $177.00
Pack Size: 1g
Purity: 95%
in stock
$554.00 $388.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00D8CZ
Chemical Name: tert-Butyl 3-cyanomorpholine-4-carboxylate
CAS Number: 518047-40-0
Molecular Formula: C10H16N2O3
Molecular Weight: 212.2456
MDL Number: MFCD09863125
SMILES: N#CC1COCCN1C(=O)OC(C)(C)C
Properties
Complexity: 287  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.6  
Downstream Synthesis Route
518047-40-0    519031-82-4 

[1]Pace,Paola;DiFrancesco,M.Emilia;Gardelli,Cristina;Harper,Steven;Muraglia,Ester;Nizi,Emanuela;Orvieto,Federica;Petrocchi,Alessia;Poma,Marco;Rowley,Michael;Scarpelli,Rita;Laufer,Ralph;Paz,OdalysGonzalez;Monteagudo,Edith;Bonelli,Fabio;Hazuda,Daria;Stillmock,KaraA.;Summa,Vincenzo[JournalofMedicinalChemistry,2007,vol.50,#9,p.2225-2239]

[2]Gardelli,Cristina;Nizi,Emanuela;Muraglia,Ester;Crescenzi,Benedetta;Ferrara,Marco;Orvieto,Federica;Pace,Paola;Pescatore,Giovanna;Poma,Marco;Ferreira,MariaDelRosarioRico;Scarpelli,Rita;Homnick,CarlF.;Ikemoto,Norihiro;Alfieri,Anna;Verdirame,Maria;Bonelli,Fabio;Paz,OdalysGonzalez;Taliani,Marina;Monteagudo,Edith;Pesci,Silvia;Laufer,Ralph;Felock,Peter;Stillmock,KaraA.;Hazuda,Daria;Rowley,Michael;Summa,Vincenzo[JournalofMedicinalChemistry,2007,vol.50,#20,p.4953-4975]

518047-39-7    518047-40-0 

[1]CurrentPatentAssignee:ASTRAZENECAPLC-WO2005/80386,2005,A1Locationinpatent:Page/Pagecolumn43-44

[2]Pace,Paola;DiFrancesco,M.Emilia;Gardelli,Cristina;Harper,Steven;Muraglia,Ester;Nizi,Emanuela;Orvieto,Federica;Petrocchi,Alessia;Poma,Marco;Rowley,Michael;Scarpelli,Rita;Laufer,Ralph;Paz,OdalysGonzalez;Monteagudo,Edith;Bonelli,Fabio;Hazuda,Daria;Stillmock,KaraA.;Summa,Vincenzo[JournalofMedicinalChemistry,2007,vol.50,#9,p.2225-2239]

[3]Summa,Vincenzo;Petrocchi,Alessia;Matassa,VictorG.;Gardelli,Cristina;Muraglia,Ester;Rowley,Michael;Paz,OdalysGonzalez;Laufer,Ralph;Monteagudo,Edith;Pace,Paola[JournalofMedicinalChemistry,2006,vol.49,#23,p.6646-6649]

24424-99-5    97039-63-9    518047-40-0 

[1]Gardelli,Cristina;Nizi,Emanuela;Muraglia,Ester;Crescenzi,Benedetta;Ferrara,Marco;Orvieto,Federica;Pace,Paola;Pescatore,Giovanna;Poma,Marco;Ferreira,MariaDelRosarioRico;Scarpelli,Rita;Homnick,CarlF.;Ikemoto,Norihiro;Alfieri,Anna;Verdirame,Maria;Bonelli,Fabio;Paz,OdalysGonzalez;Taliani,Marina;Monteagudo,Edith;Pesci,Silvia;Laufer,Ralph;Felock,Peter;Stillmock,KaraA.;Hazuda,Daria;Rowley,Michael;Summa,Vincenzo[JournalofMedicinalChemistry,2007,vol.50,#20,p.4953-4975]

518047-40-0    519031-84-6 

[1]Pace,Paola;DiFrancesco,M.Emilia;Gardelli,Cristina;Harper,Steven;Muraglia,Ester;Nizi,Emanuela;Orvieto,Federica;Petrocchi,Alessia;Poma,Marco;Rowley,Michael;Scarpelli,Rita;Laufer,Ralph;Paz,OdalysGonzalez;Monteagudo,Edith;Bonelli,Fabio;Hazuda,Daria;Stillmock,KaraA.;Summa,Vincenzo[JournalofMedicinalChemistry,2007,vol.50,#9,p.2225-2239]

518047-40-0    518047-42-2 

[1]Pace,Paola;DiFrancesco,M.Emilia;Gardelli,Cristina;Harper,Steven;Muraglia,Ester;Nizi,Emanuela;Orvieto,Federica;Petrocchi,Alessia;Poma,Marco;Rowley,Michael;Scarpelli,Rita;Laufer,Ralph;Paz,OdalysGonzalez;Monteagudo,Edith;Bonelli,Fabio;Hazuda,Daria;Stillmock,KaraA.;Summa,Vincenzo[JournalofMedicinalChemistry,2007,vol.50,#9,p.2225-2239]

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