Home Amines 850568-47-7
850568-47-7,MFCD06659820
Catalog No.:AA003GCC

850568-47-7 | 2-Amino-4-cyanophenylboronic acid, HCl

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Purity
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Price(USD)
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100mg
98%
in stock  
$170.00   $119.00
- +
250mg
98%
in stock  
$286.00   $200.00
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1g
98%
in stock  
$602.00   $421.00
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5g
98%
in stock  
$2,090.00   $1,463.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003GCC
Chemical Name:
2-Amino-4-cyanophenylboronic acid, HCl
CAS Number:
850568-47-7
Molecular Formula:
C7H8BClN2O2
Molecular Weight:
198.4146
MDL Number:
MFCD06659820
SMILES:
N#Cc1ccc(c(c1)N)B(O)O.Cl
Properties
Properties
 
BP:
454°C at 760 mmHg  
Form:
Solid  
MP:
214-218°C  
Storage:
Inert atmosphere;-20 ℃;  

Computed Properties
 
Complexity:
201  
Covalently-Bonded Unit Count:
2  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
1  

Downstream Synthesis Route
850568-47-7    13959-01-8   
5-oxo-5,6-dihydrobenzoc2,6naphthyridine-8-carbonitrile 

[1]Patent:WO2008/28168,2008,A2.Locationinpatent:Page/Pagecolumn63

[2]Patent:US2009/239859,2009,A1.Locationinpatent:Page/Pagecolumn26-27

[3]JournalofMedicinalChemistry,2011,vol.54,p.635-654

[1]Patent:WO2008/57208,2008,A2.Locationinpatent:Page/Pagecolumn50-51

[2]Patent:US2010/183551,2010,A1

[1]Patent:US2009/239859,2009,A1.Locationinpatent:Page/Pagecolumn308

[1]Patent:US2009/239859,2009,A1.Locationinpatent:Page/Pagecolumn93

[2]JournalofMedicinalChemistry,2011,vol.54,p.635-654

16807-11-7    850568-47-7   
3-amino-4-(9H-carbazol-1-yl)benzonitrile 

[1]BioorganicandMedicinalChemistry,2018,vol.26,p.2965-2972

Literature
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SDS
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Tags:850568-47-7 Molecular Formula|850568-47-7 MDL|850568-47-7 SMILES|850568-47-7 2-Amino-4-cyanophenylboronic acid, HCl