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Home Boronic Acids 1231892-74-2
1231892-74-2,MFCD18383610
Catalog No.:AA000K1I

1231892-74-2 | 7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinolin-1(2H)-one

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Purity
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Price(USD)
Quantity
  
250mg
95%
in stock  
$201.00   $141.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000K1I
Chemical Name:
7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
CAS Number:
1231892-74-2
Molecular Formula:
C15H20BNO3
Molecular Weight:
273.1352
MDL Number:
MFCD18383610
SMILES:
O=C1NCCc2c1cc(cc2)B1OC(C(O1)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
394  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,2013,vol.56,p.9542-9555

[2]BioorganicandMedicinalChemistryLetters,2017,vol.27,p.1050-1054

[1]Patent:WO2016/198400,2016,A1

[1]Patent:WO2016/198400,2016,A1

[1]JournalofMedicinalChemistry,2018,vol.61,p.4978-4992

[2]Patent:WO2017/68412,2017,A1.Locationinpatent:Page/Pagecolumn229;230

Literature
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SDS
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Tags:1231892-74-2 Molecular Formula|1231892-74-2 MDL|1231892-74-2 SMILES|1231892-74-2 7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinolin-1(2H)-one