Structural Requirements of 1-(2-Pyridinyl)-5-pyrazolones for Disproportionation of Boronic Acids
Abstract
:1. Introduction
2. Results and Discussion
3. Materials and Methods
3.1. Generals
3.2. Representative Procedure for the Synthesis of Four-Coordinate Boron Complexes
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
Sample Availability
References
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Entry | Substrate a | Reaction Conditions b | Product (Yield, %) |
---|---|---|---|
1 | 2b | PhB(OH)2, K3PO4, dioxane | 2c (29) |
2 | 2a | PhB(OH)2, K3PO4, dioxane | 2c (37) |
3 | 1a | PhB(OH)2, K3PO4, dioxane | - c |
4 | 2a | PhB(OCMe2CMe2O), K3PO4, dioxane | - c |
5 | 2a | PhB(OH)2, dioxane | - c |
6 | - d | PhB(OH)2, K3PO4, dioxane | 3a (4%) 3b (26%) e |
7 | 2a | 3a, EtOH | 2c (81%) |
Crystal Data | ||
---|---|---|
C26H20BN3O | c = 11.2162 (1) Å | Z = 2 |
Mr = 401.26 | α = 78.966 (1)o | Mo Kα radiation |
Triclinic, P1 | β = 81.795 (1)o | μ = 0.08 mm−1 |
a = 9.7309 (1) Å | γ = 79.993 (1)o | T = 296 K |
b = 9.8830 (1) Å | V = 1035.91 (2) Å3 | 0.44 × 0.31 × 0.23 mm |
Data Collection | ||
Bruker APEXII CCD diffractometer | 5044 independent reflections | |
19,866 measured reflections | 3923 reflections with I > 2σ(I) | |
Refinement | ||
R[F2 > 2σ(F2)] = 0.041 | 280 parameters | |
wR(F2) = 0.106 | H-atom parameters constrained | |
S = 1.03 | Δρmax = 0.21 e Å−3 | |
5044 reflections | Δρmin = −0.19 e Å−3 |
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Cho, J.; Sadu, V.S.; Han, Y.; Bae, Y.; Lee, H.; Lee, K.-I. Structural Requirements of 1-(2-Pyridinyl)-5-pyrazolones for Disproportionation of Boronic Acids. Molecules 2021, 26, 6814. https://0-doi-org.brum.beds.ac.uk/10.3390/molecules26226814
Cho J, Sadu VS, Han Y, Bae Y, Lee H, Lee K-I. Structural Requirements of 1-(2-Pyridinyl)-5-pyrazolones for Disproportionation of Boronic Acids. Molecules. 2021; 26(22):6814. https://0-doi-org.brum.beds.ac.uk/10.3390/molecules26226814
Chicago/Turabian StyleCho, Joungmo, Venkata Subbaiah Sadu, Yohan Han, Yunsoo Bae, Hwajeong Lee, and Kee-In Lee. 2021. "Structural Requirements of 1-(2-Pyridinyl)-5-pyrazolones for Disproportionation of Boronic Acids" Molecules 26, no. 22: 6814. https://0-doi-org.brum.beds.ac.uk/10.3390/molecules26226814