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Home Boronic Acids 1116093-68-5
1116093-68-5,MFCD10698508
Catalog No.:AA00HC3I

1116093-68-5 | 5-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95+%
in stock  
$53.00   $37.00
- +
250mg
95+%
in stock  
$87.00   $61.00
- +
1g
95+%
in stock  
$234.00   $164.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00HC3I
Chemical Name:
5-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS Number:
1116093-68-5
Molecular Formula:
C14H18BNO2
Molecular Weight:
243.1092
MDL Number:
MFCD10698508
SMILES:
N#Cc1cc(C)ccc1B1OC(C(O1)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
355  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
1  

Downstream Synthesis Route

[1]CurrentPatentAssignee:EVOTECAG-WO2009/110985,2009,A2Locationinpatent:Page/Pagecolumn118

[1]Wright,JayS.;Sharninghausen,LiamS.;Preshlock,Sean;Brooks,AllenF.;Sanford,MelanieS.;Scott,PeterJ.H.[JournaloftheAmericanChemicalSociety,2021,vol.143,#18,p.6915-6921]

[1]JournaloftheAmericanChemicalSociety,2021,vol.143,p.6915-6921

Literature
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SDS
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Tags:1116093-68-5 Molecular Formula|1116093-68-5 MDL|1116093-68-5 SMILES|1116093-68-5 5-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile