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Home Boronic Acids 1352413-06-9
1352413-06-9,MFCD18373989
Catalog No.:AA009WI2

1352413-06-9 | Methyl 3-cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98%
in stock  
$44.00   $31.00
- +
250mg
98%
in stock  
$71.00   $50.00
- +
5g
98%
in stock  
$671.00   $470.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA009WI2
Chemical Name:
Methyl 3-cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CAS Number:
1352413-06-9
Molecular Formula:
C15H18BNO4
Molecular Weight:
287.1187
MDL Number:
MFCD18373989
SMILES:
COC(=O)c1cc(cc(c1)C#N)B1OC(C(O1)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
452  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
3  

Downstream Synthesis Route
13531-48-1    73183-34-3   
C15H18BNO4 

[1]Heterocycles,2019,vol.99,p.1053-1072

[1]Nishiyama,Yoshitake;Misawa,Yoshihiro;Hazama,Yuki;Oya,Kazuhiro;Yoshida,Suguru;Hosoya,Takamitsu[Heterocycles,2019,vol.99,#2,p.1053-1072]

[1]CurrentPatentAssignee:INCYTECORP-WO2021/76728,2021,A1Locationinpatent:Page/Pagecolumn89

[1]CurrentPatentAssignee:INCYTECORP-WO2021/76728,2021,A1Locationinpatent:Page/Pagecolumn91-92

Literature
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SDS
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Tags:1352413-06-9 Molecular Formula|1352413-06-9 MDL|1352413-06-9 SMILES|1352413-06-9 Methyl 3-cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate