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CS-W001157 4
Total: USD 88.00

(2-Cyanopyrimidin-5-yl)boronic acid

  • CAS No. 1164100-81-5

  • Cat. No. CS-0183069
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

(2-Cyanopyrimidin-5-yl)boronic acid|CS-0183069

Structure of 1164100-81-5

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General Information

  • CAS No. 1164100-81-5
  • Cat. No. CS-0183069
  • Purity ≥98%
  • MDL No. None
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₄BN₃O₂
  • Molecular Weight 148.92
  • Synonym(s) (2-CyanopyriMidin-5yl)boronic acid
  • SMILES C(#N)C1=NC=C(C=N1)B(O)O

Description

This boronate moiety integrates seamlessly into Suzuki-Miyaura cross-coupling reactions, delivering functionalized pyrimidine scaffolds with high efficiency. The cyano group enhances electron deficiency, improving reactivity while maintaining bench-stable handling under standard conditions.

Application

(2-Cyanopyrimidin-5-yl)boronic acid serves as a versatile building block in Suzuki-Miyaura coupling reactions, enabling efficient C–C bond formation under mild conditions. Its pyrimidine core and cyano group provide enhanced stability and orthogonal reactivity, facilitating downstream functionalization in medicinal chemistry and agrochemical synthesis. The boronic acid moiety offers excellent bench stability and compatibility with diverse functional groups, simplifying purification and scale-up.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   90.03
  • LogP   -1.97192
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   1

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