(4-(2-Cyanopropan-2-yl)phenyl)boronic acid

Name: (4-(2-Cyanopropan-2-yl)phenyl)boronic acid
Brand: ChemScene
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CAS No. 850568-67-1
Cat. No. CS-0169774
Purity≥97%
MDL No.None

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(4-(2-Cyanopropan-2-yl)phenyl)boronic acid|CS-0169774

Structure of 850568-67-1

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General Information

CAS No. 850568-67-1
Cat. No. CS-0169774
Purity ≥97%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₂BNO₂
Molecular Weight 189.02
Synonym(s) 2-(4-Boronophenyl)-2-methylpropanenitrile
SMILES N#CC(C)(C)C(C=C1)=CC=C1B(O)O

Description

This boronic acid features a sterically hindered arylboronate group coupled with a nitrile-bearing tert-butyl substituent. The electron-withdrawing cyano moiety enhances stability and modulates reactivity, enabling efficient Suzuki-Miyaura coupling under mild conditions. Ideal for constructing complex biaryl architectures in medicinal chemistry and materials science applications.

Application

(4-(2-Cyanopropan-2-yl)phenyl)boronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient construction of biaryl scaffolds under mild conditions. The cyano-substituted tert-butyl group enhances stability and facilitates purification, while the boronic acid functionality exhibits excellent functional group tolerance and bench robustness, making it well-suited for iterative synthesis in medicinal chemistry and materials science applications.

Synthesis

Route1
- 121-43-7
- In-stock
  
  101184-73-0
- ~%
- In-stock
  
  850568-67-1
References
- ACS Medicinal Chemistry Letters, , vol. 4, # 6 p. 514 - 516

Safety Information

Download SDS

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

Quality Control

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Computational Chemistry Data

TPSA 64.25
LogP 0.16758
H_Acceptors 3
H_Donors 2
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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(4-(2-Cyanopropan-2-yl)phenyl)boronic acid

CAS No. 850568-67-1

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