Lot numbers can be found on the outside label of a product:
1-Boc-pyrazole-4-boronic acid pinacol ester
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CAS No. 552846-17-0
- Cat. No. CS-W003233
- Purity≥97%
- MDL No.MFCD05663873
*For research and further manufacturing use only, not for direct human use.
Structure of 552846-17-0
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General Information
- CAS No. 552846-17-0
- Cat. No. CS-W003233
- Purity ≥97%
- MDL No. MFCD05663873
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₄H₂₃BN₂O₄
- Molecular Weight 294.16
- Synonym(s) None
- SMILES O=C(OC(C)(C)C)N(N=C1)C=C1B2OC(C)(C)C(C)(C)O2
Description
1-Boc-pyrazole-4-boronic acid pinacol ester combines a pyrazole scaffold with a boronate ester handle, enabling direct incorporation into Suzuki-Miyaura cross-coupling reactions. The Boc group ensures stability during storage and handling, while the pinacol ester enhances solubility and reactivity under standard conditions. This reagent streamlines access to functionalized heterocycles in medicinal chemistry and materials synthesis.
Application
1-Boc-pyrazole-4-boronic acid pinacol ester serves as a stable, bench-ready building block for Suzuki-Miyaura cross-coupling reactions. The Boc group provides protection of the pyrazole nitrogen, enhancing stability and enabling orthogonal functionalization. The pinacol boronate ester offers excellent reactivity under mild conditions, tolerates a range of functional groups, and facilitates efficient incorporation into heterocyclic scaffolds and complex molecular architectures common in medicinal chemistry and materials science.
Synthesis
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References
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US2006/46991 A1, ; Page/Page column 68 ; US 20060046991 A1
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Route2
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25015-63-8 -
In-stock
219580-32-2 - ~76%
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In-stock
552846-17-0
References
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Journal of Organic Chemistry, , vol. 74, # 23 p. 9199 - 9201
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Route3
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In-stock
269410-08-4 - ~%
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In-stock
552846-17-0
References
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US2013/190249 A1, ; Page/Page column ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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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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Quality Control
Computational Chemistry Data
- TPSA 62.58
- LogP 1.9655
- H_Acceptors 6
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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