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CS-W001157 4
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(4-(1-Cyanocyclopropyl)phenyl)boronic acid

  • CAS No. 1217501-00-2

  • Cat. No. CS-W005535
  • Purity≥97%
  • MDL No.MFCD12546546

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

(4-(1-Cyanocyclopropyl)phenyl)boronic acid|CS-W005535

Structure of 1217501-00-2

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General Information

  • CAS No. 1217501-00-2
  • Cat. No. CS-W005535
  • Purity ≥97%
  • MDL No. MFCD12546546
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀BNO₂
  • Molecular Weight 187.00
  • Synonym(s) 4-(1-CYANOCYCLOPROPYL)PHENYLBORONIC ACID
  • SMILES OB(C1=CC=C(C2(C#N)CC2)C=C1)O

Description

This boronate moiety integrates a cyanocyclopropyl group at the para position of a phenyl ring, delivering enhanced stability and compatibility in Suzuki-Miyaura coupling reactions. The electron-deficient arylboronic acid features improved shelf life and moisture tolerance, enabling efficient cross-coupling under standard conditions.

Application

(4-(1-Cyanocyclopropyl)phenyl)boronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient construction of biaryl and heteroaryl architectures. The cyanocyclopropyl group imparts enhanced metabolic stability and favorable lipophilicity, making it valuable for medicinal chemistry applications. Its bench-stable boronic acid functionality facilitates straightforward handling, purification, and coupling under mild conditions.

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   64.25
  • LogP   -0.07842
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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