Bis(neopentyl glycolato)diboron

The Bis(neopentyl glycolato)diboron, with the CAS registry number 201733-56-4, is also known as 5,5,5',5'-Tetramethyl-2,2'-bi-1,3,2-dioxaborinane. It belongs to the product categories of Pharmaceutical Intermediates; Diboron Series; Boronic Ester; Organoborons; B (Classes of Boron Compounds); Diboron Esters; Chiral Chemicals; Heterocycles; Miscellaneous Reagents. This chemical's molecular formula is C₁₀H₂₀B₂O₄ and molecular weight is 225.89. What's more, its IUPAC name is called 2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-5,5-dimethyl-1,3,2-dioxaborinane. It should be stored in a cool, dry and well-ventilated place.

Physical properties about Bis(neopentyl glycolato)diboron are: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 36.92 Å²; (5)Index of Refraction: 1.427; (6)Molar Refractivity: 58.182 cm³; (7)Molar Volume: 226.383 cm³; (8)Polarizability: 23.065×10^-24cm³; (9)Surface Tension: 26.496 dyne/cm; (10)Density: 0.998 g/cm³; (11)Flash Point: 83.393 °C; (12)Enthalpy of Vaporization: 43.224 kJ/mol; (13)Boiling Point: 214.278 °C at 760 mmHg; (14)Vapour Pressure: 0.229 mmHg at 25 °C.

Uses of Bis(neopentyl glycolato)diboron: it is used to produce other chemicals. For example, it can react with cyclohex-2-enone to get 3-(5,5-dimethyl-[1,3,2]dioxaborinan-2-yl)-cyclohexanone. This reaction needs reagent chlorotris(triphenylphosphine)rhodium(I) and solvent toluene at temperature of 80 °C. The reaction time is 12 hours. The yield is 76 %.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. And it is irritating to eyes, respiratory system and skin. Therefore, you should wear gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O1B(OCC(C)(C)C1)B2OCC(C)(C)CO2
(2) InChI: InChI=1S/C10H20B2O4/c1-9(2)5-13-11(14-6-9)12-15-7-10(3,4)8-16-12/h5-8H2,1-4H3
(3) InChIKey: MDNDJMCSXOXBFZ-UHFFFAOYSA-N