Description

3-(1-Hydroxy-1,3-dihydro-2,1-benzoxaborol-7-yl)propanoic acid (CAS No. 1268335-33-6) is a high-purity benzoxaborole derivative with the molecular formula C₁₀H₁₁BO₄. This compound features a unique benzoxaborole core fused with a propanoic acid moiety, making it a valuable intermediate in medicinal chemistry and materials science. With a molecular weight of 206.00 g/mol, it is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC). Ideal for researchers developing novel boron-containing therapeutics, this product is rigorously tested for quality, stability, and consistency. Store under inert conditions at 2-8°C to maintain optimal stability. Available in customizable quantities from milligrams to bulk scale, with optional analytical certificates (CoA, NMR, HPLC).

Properties

• CAS Number: 1268335-33-6
• Complexity: 246
• IUPAC Name: 3-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)propanoic acid
• InChI: InChI=1S/C10H11BO4/c12-9(13)5-4-7-2-1-3-8-6-15-11(14)10(7)8/h1-3,14H,4-6H2,(H,12,13)
• InChI Key: CEVOKIPNIZQANN-UHFFFAOYSA-N
• Exact Mass: 206.0750390
• Molecular Formula: C10H11BO4
• Molecular Weight: 206.00
• SMILES: B1(C2=C(CO1)C=CC=C2CCC(=O)O)O
• Topological: 66.8
• Monoisotopic Mass: 206.0750390
• Synonyms: 1268335-33-6, 3-(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-7-yl)propanoic acid, 690-931-4, 3-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-7-yl)propanoic acid, AN3661, 3-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)propanoic acid, SCHEMBL1232994, CHEMBL1643740, GTPL10084, CEVOKIPNIZQANN-UHFFFAOYSA-N, TAC33533, 3-(1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-7-yl)propanoicacid, EX-A11922, MFCD22393432, TQ0120, AKOS028114778, MS-23118, DB-180484, HY-128204, CS-0095458, D79971, EN300-187417, Z1508932774, 1,3-Dihydro-1-hydroxy-2,1-benzoxaborole-7-propanoic acid, 7-(2-Carboxyethyl)-1,3-dihydro-1-hydroxy-2,1-benzoxaborole, 3-(1-hydroxy1,3-dihydrobenzo[c][1,2]oxaborol-7-yl)propanoic acid

Application

This benzoxaborole derivative is primarily used as a key synthetic intermediate for developing antifungal and antiparasitic agents, particularly against Plasmodium falciparum (malaria). Its boronic acid moiety enables unique target interactions in protease inhibition applications. Researchers also utilize it for constructing boron-doped organic electronic materials. The compound’s dual functionality (benzoxaborol + carboxylic acid) facilitates conjugation to biomolecules or polymers for drug delivery systems.

Safety and Hazards

GHS Hazard Statements

• H302 (50%): 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 (50%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (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.