5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine-2-carbonitrile

Name: 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine-2-carbonitrile
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CAS No. 1025708-31-9
Cat. No. CS-0046254
Purity≥95%
MDL No.MFCD08669562

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5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine-2-carbonitrile|CS-0046254

Structure of 1025708-31-9

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General Information

CAS No. 1025708-31-9
Cat. No. CS-0046254
Purity ≥95%
MDL No. MFCD08669562
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₄BN₃O₂
Molecular Weight 231.06
Synonym(s) 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine-2-carbonitrile
SMILES N#CC1=NC=C(B2OC(C)(C)C(C)(C)O2)C=N1

Description

This boronate-functionalized pyrimidine integrates seamlessly into Suzuki-Miyaura coupling reactions, offering high stability and compatibility with diverse reaction conditions. The carbonitrile group enhances electronic tuning, while the tetramethylboronate moiety enables efficient cross-coupling without requiring preactivation.

Application

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine-2-carbonitrile serves as a versatile boronate building block for palladium-catalyzed cross-coupling reactions. The pyrimidine core with dual electron-withdrawing groups enables efficient coupling with aryl and heteroaryl halides, while the tetramethylboronate moiety offers excellent bench stability, mild reaction conditions, and compatibility with diverse functional groups. This compound facilitates rapid access to substituted pyrimidine scaffolds commonly found in pharmaceutical intermediates and agrochemicals.

Synthesis

Route1
- In-stock
  
  14080-23-0
- In-stock
  
  73183-34-3
- ~55%
- In-stock
  
  1025708-31-9
References
- Larsen, Matthew A.; Hartwig, John F. Journal of the American Chemical Society, 2014 , vol. 136, # 11 p. 4287 - 4299

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

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Computational Chemistry Data

TPSA 68.03
LogP 0.64748
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine-2-carbonitrile

CAS No. 1025708-31-9

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