Home Boronic Acids 947533-39-3
947533-39-3,MFCD09271791
Catalog No.:AA003BHH

947533-39-3 | 2-(Trifluoromethyl)pyridine-3-boronic acid

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Price(USD)
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100mg
98%
in stock  
$25.00   $17.00
- +
250mg
98%
in stock  
$38.00   $26.00
- +
500mg
98%
in stock  
$72.00   $50.00
- +
1g
98%
in stock  
$79.00   $55.00
- +
100g
97%
in stock  
$6,996.00   $4,897.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003BHH
Chemical Name:
2-(Trifluoromethyl)pyridine-3-boronic acid
CAS Number:
947533-39-3
Molecular Formula:
C6H5BF3NO2
Molecular Weight:
190.9156
MDL Number:
MFCD09271791
SMILES:
OB(c1cccnc1C(F)(F)F)O
Properties
Properties
 
Form:
Solid  
Storage:
2-8℃;Inert atmosphere;  

Computed Properties
 
Complexity:
176  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  

Downstream Synthesis Route

[1]Locationinpatent:schemeortableXia,Yan;Chackalamannil,Samuel;Greenlee,WilliamJ.;Jayne,Charles;Neustadt,Bernard;Stamford,Andrew;Vaccaro,Henry;Xu,Xiaoying;Baker,Hana;O'Neill,Kim;Woods,Morgan;Hawes,Brian;Kowalski,Tim[BioorganicandMedicinalChemistryLetters,2011,vol.21,#11,p.3290-3296]

[1]Xia,Yan;Chackalamannil,Samuel;Greenlee,WilliamJ.;Jayne,Charles;Neustadt,Bernard;Stamford,Andrew;Vaccaro,Henry;Xu,Xiaoying;Baker,Hana;O'Neill,Kim;Woods,Morgan;Hawes,Brian;Kowalski,Tim[BioorganicandMedicinalChemistryLetters,2011,vol.21,#11,p.3290-3296]

[1]CurrentPatentAssignee:BENEVOLENTAILIMITED-WO2012/55942,2012,A1Locationinpatent:Page/Pagecolumn64-65

[1]CurrentPatentAssignee:JIANGSUHENGRUIMEDICINECO.,LTD.-WO2012/88411,2012,A1Locationinpatent:Page/Pagecolumn68

[1]CurrentPatentAssignee:ROCHEHOLDINGAG;PTCTHERAPEUTICSINC-WO2013/101974,2013,A1Locationinpatent:Paragraph00770;00772

[2]CurrentPatentAssignee:ROCHEHOLDINGAG;PTCTHERAPEUTICSINC-US9617268,2017,B2Locationinpatent:Page/Pagecolumn361;362

Literature
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SDS
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Tags:947533-39-3 Molecular Formula|947533-39-3 MDL|947533-39-3 SMILES|947533-39-3 2-(Trifluoromethyl)pyridine-3-boronic acid