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Home Boronic Acids 864754-13-2
864754-13-2,MFCD08706021
Catalog No.:AA004MNE

864754-13-2 | 4-(4-Boc-piperazine-1-carbonyl)phenylboronic acid pinacol ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
96%
in stock  
$41.00   $29.00
- +
1g
96%
in stock  
$74.00   $52.00
- +
5g
96%
in stock  
$248.00   $174.00
- +
25g
96%
in stock  
$760.00   $532.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA004MNE
Chemical Name:
4-(4-Boc-piperazine-1-carbonyl)phenylboronic acid pinacol ester
CAS Number:
864754-13-2
Molecular Formula:
C22H33BN2O5
Molecular Weight:
416.3188
MDL Number:
MFCD08706021
SMILES:
O=C(N1CCN(CC1)C(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Properties
Properties
 
BP:
541.0±45.0 °C(Predicted)  
Form:
Solid  
MP:
150-160 °C  
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
628  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
4  

Downstream Synthesis Route

[1]CurrentPatentAssignee:UNIVERSITYOFROCHESTER-WO2010/68483,2010,A2Locationinpatent:Page/Pagecolumn121

[2]CurrentPatentAssignee:UNIVERSITYOFROCHESTER-WO2011/149950,2011,A2Locationinpatent:Page/Pagecolumn118-119

[3]CurrentPatentAssignee:UNIVERSITYOFROCHESTER-WO2014/85795,2014,A1Locationinpatent:Paragraph0337

[1]CurrentPatentAssignee:ASTRAZENECAPLC-US2011/118275,2011,A1Locationinpatent:Page/Pagecolumn12-13

[1]DeSimone,Rosa;Bruno,Ines;Riccio,Raffaele;Stadler,Katharina;Bauer,Julia;Schaible,AnjaM.;Laufer,Stefan;Werz,Oliver[BioorganicandMedicinalChemistry,2012,vol.20,#16,p.5012-5016]

[1]CurrentPatentAssignee:SHANGHAIXIMAIMEDICALTECHNOLOGY;SHANGHAICDYMAXPHARMACEUTICALS-CN103087077,2016,BLocationinpatent:Paragraph0107-0109

[2]CurrentPatentAssignee:FORMATHERAPEUTICS,INC.-WO2014/164749,2014,A1Locationinpatent:Page/Pagecolumn239;240

[3]DeSimone,Rosa;Bruno,Ines;Riccio,Raffaele;Stadler,Katharina;Bauer,Julia;Schaible,AnjaM.;Laufer,Stefan;Werz,Oliver[BioorganicandMedicinalChemistry,2012,vol.20,#16,p.5012-5016]

53484-15-4    864754-13-2   
tert-butyl4-(4-(1-methyl-1H-benzodimidazol-5-yl)benzoyl)piperazine-1-carboxylate 

[1]Patent:WO2014/164749,2014,A1.Locationinpatent:Page/Pagecolumn260

Literature
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SDS
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Tags:864754-13-2 Molecular Formula|864754-13-2 MDL|864754-13-2 SMILES|864754-13-2 4-(4-Boc-piperazine-1-carbonyl)phenylboronic acid pinacol ester