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426829-52-9,MFCD07368260
Catalog No.:AA00C02E

426829-52-9 | 6'-Chloro-2,3,5,6-tetrahydro-[1,2']bipyrazinyl-4-carboxylic acid tert-butyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$9.00   $7.00
- +
1g
97%
in stock  
$35.00   $25.00
- +
5g
97%
in stock  
$148.00   $103.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00C02E
Chemical Name:
6'-Chloro-2,3,5,6-tetrahydro-[1,2']bipyrazinyl-4-carboxylic acid tert-butyl ester
CAS Number:
426829-52-9
Molecular Formula:
C13H19ClN4O2
Molecular Weight:
298.7686
MDL Number:
MFCD07368260
SMILES:
Clc1cncc(n1)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Properties
 
Form:
Solid  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
340  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
3  
XLogP3:
1.9  

Downstream Synthesis Route

[1]Duncton,MatthewA.J.;Roffey,JonathanR.A.;Hamlyn,RichardJ.;Adams,DavidR.[TetrahedronLetters,2006,vol.47,#15,p.2549-2552]

[2]CurrentPatentAssignee:MITSUBISHICHEMICALHOLDINGSCORPORATION-EP3381904,2018,A1Locationinpatent:Paragraph0157-0158

[1]TetrahedronLetters,2006,vol.47,p.2549-2552

[1]CurrentPatentAssignee:SANOFI-US2005/176722,2005,A1Locationinpatent:Page/Pagecolumn22

[2]CurrentPatentAssignee:ASTELLASPHARMAINC.-EP1396487,2004,A1Locationinpatent:Page18

[1]CurrentPatentAssignee:ASTELLASPHARMAINC.-EP1396487,2004,A1Locationinpatent:Page14

[1]CurrentPatentAssignee:THEMCCLAYFOUNDATION-WO2012/69852,2012,A1Locationinpatent:Page/Pagecolumn65

[2]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-US2009/163508,2009,A1Locationinpatent:Page/Pagecolumn35

[3]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-US2009/163508,2009,A1Locationinpatent:Page/Pagecolumn19

[4]CurrentPatentAssignee:SANOFI-US2005/176722,2005,A1Locationinpatent:Page/Pagecolumn22

[5]CurrentPatentAssignee:ROCHEHOLDINGAG-US2005/209241,2005,A1Locationinpatent:Page/Pagecolumn50

[6]CurrentPatentAssignee:SWEDISHORPHANBIOVITRUMAB-US2002/147200,2002,A1

[7]CurrentPatentAssignee:MERCK&COINC-WO2009/54941,2009,A1Locationinpatent:Page/Pagecolumn46-47

[8]Nishiguchi,GiseleA.;Atallah,Gordana;Bellamacina,Cornelia;Burger,MatthewT.;Ding,Yu;Feucht,PaulH.;Garcia,PabloD.;Han,Wooseok;Klivansky,Liana;Lindvall,Mika[BioorganicandMedicinalChemistryLetters,2011,vol.21,#21,p.6366-6369]

[9]CurrentPatentAssignee:MITSUBISHICHEMICALHOLDINGSCORPORATION-EP3381904,2018,A1Locationinpatent:Paragraph0153

[10]Yun,Yanghwan;Hong,VictorSukbong;Jeong,Seungik;Choo,Hyeonseong;Kim,Shin;Lee,Jinho[ChemicalandPharmaceuticalBulletin,2021,vol.69,#9,p.854-861]

Literature
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SDS
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Tags:426829-52-9 Molecular Formula|426829-52-9 MDL|426829-52-9 SMILES|426829-52-9 6'-Chloro-2,3,5,6-tetrahydro-[1,2']bipyrazinyl-4-carboxylic acid tert-butyl ester