720429

1H-Pyrazol-3-ylboronic acid hydrate

• Empirical Formula (Hill Notation): C₃H₅BN₂O₂ · xH₂O
• Molecular Weight: 111.90 (anhydrous basis)
• MDL number: MFCD11044442
• UNSPSC Code: 12352103
• PubChem Substance ID: 329763716
• NACRES: NA.22

Properties

• form: solid
• mp: 88-93 °C
• storage temp.: 2-8°C
• SMILES string: O.OB(O)c1cc[nH]n1
• InChI: 1S/C3H5BN2O2.H2O/c7-4(8)3-1-2-5-6-3;/h1-2,7-8H,(H,5,6);1H2
• InChI key: NXQCQMBEFQLICU-UHFFFAOYSA-N

Description

General description

1H-Pyrazol-3-ylboronic acid hydrate can be used as a reactant in the Suzuki-Miyaura coupling reaction to synthesize pyrazole derivatives by reacting with different aryl halides over the palladium catalyst.

Application

Reactant for:

• Preparation of receiver-amplifier, self-immolative dendrimers as potential platform for self-triggered multiple-release prodrugs
• Preparation of bifunctional water-soluble triazole-containing derivatives of ethyl(hydroxycamptothecin) via click chemistry and conjugation to monoclonal antibodies for anticancer therapy

• Intermediate for synthesis of oligo(ethylene glycol)-terminated alkanethiol amides useful for biosensors

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable