NorrChemica™
Pyrazole-3-boronic Acid Hydrate
Pyrazole-3-boronic Acid Hydrate | CAS 1310383-92-6 | ≥98%
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Technical Specifications
| CAS Number | 1310383-92-6 |
| MDL Number | MFCD11044442 |
| SMILES | B(C1=CC=NN1)(O)O.O |
| InChI | InChI=1S/C3H5BN2O2.H2O/c7-4(8)3-1-2-5-6-3;/h1-2,7-8H,(H,5,6);1H2 |
| InChIKey | NXQCQMBEFQLICU-UHFFFAOYSA-N |
| PubChem CID | 46739739 |
| Molecular Formula | C₃H₇BN₂O₃ |
| Molecular Weight | 129.91 g/mol |
| Solubility | Soluble in alcoholic solvents, DMF, DMSO |
| Purity | ≥98%. May contain varying amounts of the corresponding boronic acid anhydrides. |
| Physical Form | White to off-white or light brown crystalline powder |
| HS Code | 2931.90 |
| Shelf Life | Retest period: 36 months from date of manufacture. |
| Storage Conditions | Store under inert atmosphere at –20°C in a tightly sealed container, in a dark place. Protect from moisture and light |
Product Description & Scientific Applications
Pyrazole-3-boronic Acid Hydrate (1H-pyrazol-3-ylboronic acid hydrate) is an unprotected N-heteroarylboronic acid for installing the pyrazol-3-yl unit into coupled aryl and heteroaryl frameworks.
May contain small amounts of the cyclic anhydride pyrazol-3-ylboroxine. Under aqueous or basic coupling conditions the two forms re-equilibrate and the impact on yield is minor.
Applications and Reactions
Suzuki–Miyaura cross-coupling: used to prepare 3-arylpyrazole and heteroaryl-pyrazole products; because the unprotected N-heteroarylboronic acid is prone to protodeboronation, condition screening is required.
Protodeboronation-sensitive substrate: pyrazolylboronic acids are prone to C–B loss under mismatched conditions; protected boron forms or milder coupling conditions may improve reliability.
Unprotected pyrazole handle: the NH-bearing ring is retained in the coupled product, giving direct access to pyrazoles available for later N-functionalisation or salt formation.
N-heteroaryl scaffold installation: introduces a compact diazole unit with adjacent donor/acceptor nitrogens for structure–property and fragment-extension studies.
Medicinal-chemistry intermediates: provides pyrazolyl fragments for heteroaryl libraries, kinase-research scaffolds, and other pharmaceutical-intermediate series.
Agrochemical intermediate synthesis: supports preparation of arylated pyrazole intermediates for crop-science and heterocycle research programmes.
Further Reading
For boronic acids, boronic esters, organotrifluoroborates, protodeboronation, boroxine content, and Suzuki–Miyaura reagent selection, see NorrChemica's Lab Journal guide: Choosing Your Boron Source for Suzuki–Miyaura Coupling.
Shipping Destinations
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EU & UK: Priority delivery, 1–2 business days.
- EFTA Countries (DDP): 1–2 business days, duties and taxes prepaid.
Safety Information
| GHS Pictograms |
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| Signal Word | Warning |
| Hazard Class | None — not subject to transport regulations |
| Transport Category | Not classified as dangerous goods for transport (ADR/IATA/IMDG) |
| H-Statements | H315 - H319 - H335 |
| P-Statements | P261 - P264 - P271 - P280 - P302+P352 - P304+P340 - P305+P351+P338 - P332+P313 - P337+P313 - P362+P364 - P501 |
Documentation
| Safety Data Sheet | Download PDF |
