Methoxydiethylborane

The Methoxydiethylborane is an organic compound with the formula C₅H₁₃BO. The IUPAC name of this chemical is diethyl(methoxy)borane. With the CAS registry number 7397-46-8, it is also named as Borinic acid, B,B-diethyl-, methyl ester. The product's categories are Pharmaceutical Intermediates; Boranes; Reduction; Synthetic Reagents. Besides, it should be stored in a closed cool and dry place. It is used as atorvastatin calcium intermediate.

Physical properties about Methoxydiethylborane are: (1)ACD/LogP: 1.61; (2)ACD/LogD (pH 5.5): 1.61; (3)ACD/LogD (pH 7.4): 1.61; (4)ACD/BCF (pH 5.5): 9.85; (5)ACD/BCF (pH 7.4): 9.85; (6)ACD/KOC (pH 5.5): 178.95; (7)ACD/KOC (pH 7.4): 178.95; (8)#H bond acceptors: 1 ; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 9.23 Å²; (11)Index of Refraction: 1.355; (12)Molar Refractivity: 30.38 cm³; (13)Molar Volume: 139.3 cm³; (14)Polarizability: 12.04×10^-24cm³; (15)Surface Tension: 18.1 dyne/cm; (16)Density: 0.717 g/cm³; (17)Enthalpy of Vaporization: 31.03 kJ/mol; (18)Boiling Point: 83.2 °C at 760 mmHg; (19)Vapour Pressure: 84.8 mmHg at 25°C.

Uses of Methoxydiethylborane: it can be used to produce 1-(2-diethylboranyl-phenyl)-ethanone at temperature of 20 °C. It will need reagent BuLi, TMEDA and solvent tetrahydrofuran, diethyl ether, hexane with reaction time of 24.5 hours. The yield is about 75%.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and highly flammable. Please take off immediately all contaminated clothing and keep away from sources of ignition - No smoking. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of 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: O(B(CC)CC)C
(2)InChI: InChI=1/C5H13BO/c1-4-6(5-2)7-3/h4-5H2,1-3H3
(3)InChIKey: FESAXEDIWWXCNG-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C5H13BO/c1-4-6(5-2)7-3/h4-5H2,1-3H3
(5)Std. InChIKey: FESAXEDIWWXCNG-UHFFFAOYSA-N