Description

(4-(2-Hydroxypropan-2-yl)phenyl)boronic acid (CAS No. 886593-45-9) is a high-purity boronic acid derivative with the molecular formula C₉H₁₃BO₃. This compound features a boronic acid functional group attached to a phenyl ring substituted with a 2-hydroxypropan-2-yl group, making it a valuable intermediate in organic synthesis and pharmaceutical research. Its unique structure enables participation in Suzuki-Miyaura cross-coupling reactions, a cornerstone of modern synthetic chemistry for constructing biaryl and heteroaryl scaffolds. The compound is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring consistent performance in demanding applications. Proper storage under inert atmosphere at 2-8°C is recommended to maintain stability. This product is ideal for researchers developing novel drug candidates, agrochemicals, or advanced materials requiring precise control over molecular architecture.

Properties

• CAS Number: 886593-45-9
• Complexity: 162
• IUPAC Name: [4-(1-hydroxy-1-methyl-ethyl)phenyl]boronic acid
• InChI: InChI=1S/C9H13BO3/c1-9(2,11)7-3-5-8(6-4-7)10(12)13/h3-6,11-13H,1-2H3
• InChI Key: DPIDNFWCDMXMDY-UHFFFAOYSA-N
• Exact Mass: 180.0957744
• Molecular Formula: C9H13BO3
• Molecular Weight: 180.01
• SMILES: B(C1=CC=C(C=C1)C(C)(C)O)(O)O
• Topological: 60.7
• Monoisotopic Mass: 180.0957744
• Synonyms: 886593-45-9, (4-(2-Hydroxypropan-2-yl)phenyl)boronic acid, 4-(2-Hydroxypropan-2-yl)phenylboronic acid, [4-(2-Hydroxypropan-2-yl)phenyl]boronic acid, 4-(2-Hydroxy-2-propanyl)phenylboronic Acid, MFCD09992905, Boronic acid, [4-(1-hydroxy-1-methylethyl)phenyl]-, [4-(1-Hydroxy-1-methyl-ethyl)phenyl]boronic acid, (4-(2-Hydroxypropan-2-yl)phenyl)boronicacid, SCHEMBL722182, DTXSID10717192, DPIDNFWCDMXMDY-UHFFFAOYSA-N, BBL102726, STL556532, AKOS006313221, CS-W006341, DS-3730, DA-01526, SY025044, EN300-147429

Application

This boronic acid derivative serves as a key building block in pharmaceutical research, particularly in the synthesis of kinase inhibitors and other biologically active compounds. It’s widely employed in Suzuki-Miyaura cross-coupling reactions to create complex biaryl structures found in many drug molecules. The compound’s hydroxyl group offers additional opportunities for further functionalization through standard protection/deprotection strategies. Researchers value its stability and reactivity profile for constructing molecular frameworks in medicinal chemistry programs. The product has shown utility in developing PET radiotracers and other diagnostic agents due to its favorable physicochemical properties.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.