Description

1,3-Dihydro-1-hydroxy-2,1-benzoxaborol-5-ol (CAS No. 1187190-70-0) is a high-purity benzoxaborole derivative with the molecular formula C₇H₇BO₃. This compound, also known by its IUPAC name 1-hydroxy-3H-2,1-benzoxaborol-5-ol, features a unique benzoxaborole core structure with hydroxyl functionalization at the 1- and 5-positions, making it a versatile intermediate for pharmaceutical and agrochemical research. Its boronic acid-like properties enable applications in Suzuki-Miyaura cross-coupling reactions, enzyme inhibition studies, and antimicrobial agent development. Supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), this product is ideal for researchers requiring precise boron-containing scaffolds. Store under inert conditions at 2-8°C to ensure stability.

Properties

• CAS Number: 1187190-70-0
• Complexity: 153
• IUPAC Name: 1-hydroxy-3H-2,1-benzoxaborol-5-ol
• InChI: InChI=1S/C7H7BO3/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,9-10H,4H2
• InChI Key: GEQGETTVGJBBOI-UHFFFAOYSA-N
• Exact Mass: 150.0488242
• Molecular Formula: C7H7BO3
• Molecular Weight: 149.94
• SMILES: B1(C2=C(CO1)C=C(C=C2)O)O
• Topological: 49.7
• Monoisotopic Mass: 150.0488242
• Synonyms: 1187190-70-0, 1,3-Dihydro-1-hydroxy-2,1-benzoxaborol-5-ol, Benzo[c][1,2]oxaborole-1,5(3H)-diol, 1,3-dihydro-2,1-benzoxaborole-1,5-diol, 1-hydroxy-3H-2,1-benzoxaborol-5-ol, MFCD22393581, 7WQ62YML7D, 2,1-Benzoxaborol-5-ol, 1,3-dihydro-1-hydroxy-, Benzo(C)(1,2)oxaborole-1,5(3H)-diol, UNII-7WQ62YML7D, SCHEMBL564786, GEQGETTVGJBBOI-UHFFFAOYSA-N, DTXSID401262259, TQ0237, AKOS030238856, PB39746, 3H-benzo[c][1,2]oxaborole-1,5-diol, AS-52943, DA-30273, SY321769, CS-0052741, P15896

Application

1,3-Dihydro-1-hydroxy-2,1-benzoxaborol-5-ol serves as a key building block in medicinal chemistry for developing novel protease inhibitors and antifungal agents. Its benzoxaborole core is exploited in the design of β-lactamase inhibitors to combat antibiotic resistance. Researchers also utilize this compound as a precursor for PET tracer synthesis due to boron’s neutron capture properties. In materials science, it functions as a cross-linking agent for boronate ester-based polymers.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)

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