1-Hydroxy-2,1-benzoxaborolane

The 1-Hydroxy-2,1-benzoxaborolane, with cas registry number 5735-41-1, belongs to the following product categories: (1)blocks; (2)BoronicAcids. It has the systematic name of 2,1-benzoxaborol-1(3H)-ol. And its IUPAC name is 1-hydroxy-3H-2,1-benzoxaborole. What's more, this chemical should be kept cold.

Physical properties about this chemical are: (1)#H bond acceptors: 2; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 18.46 Å²; (5)Index of Refraction: 1.55; (6)Molar Refractivity: 36.07 cm³; (7)Molar Volume: 113 cm³; (8)Polarizability: 14.3×10^-24cm³; (9)Surface Tension: 39.6 dyne/cm; (10)Enthalpy of Vaporization: 50.09 kJ/mol; (11)Vapour Pressure: 0.0249 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-bromo-benzyl alcohol and boric acid triisopropyl ester. This reaction will need reagent n-BuLi and solvent tetrahydrofuran, hexane. The temperature of this reaction is -78 - 20 ℃. The yield is about 86%.

Uses of 1-Hydroxy-2,1-benzoxaborolane: it can be used to produce 2-hydroxymethyl-phenol. This reaction will need reagent 30 % H₂O₂ and solvent tetrahydrofuran, H₂O. The reaction time is 30 hour(s). The yield is about 100%.

When you are using this chemical, please be cautious about it as the following:
The 1-Hydroxy-2,1-benzoxaborolane irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: OB1OCc2ccccc12
(2)InChI: InChI=1/C7H7BO2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,9H,5H2
(3)InChIKey: XOQABDOICLHPIS-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C7H7BO2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4,9H,5H2
(5)Std. InChIKey: XOQABDOICLHPIS-UHFFFAOYSA-N