Allylboronic acid pinacol ester

The CAS register number of Allylboronic acid pinacol ester is 72824-04-5. It also can be called as 2-Allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane and the IUPAC name about this chemical is 4,4,5,5-tetramethyl-2-prop-2-enyl-1,3,2-dioxaborolane. The molecular formula about this chemical is C₉H₁₇BO₂ and molecular weight is 168.04. It belongs to the following product categories, such as Olefin; Organoborons; B (Classes of Boron Compounds); Boronic Acids Esters; Chiral Chemicals and so on.

Physical properties about Allylboronic acid pinacol ester are: (1)#H bond acceptors: 2; (2)#Freely Rotating Bonds: 2; (3)Polar Surface Area: 18.46Ų; (4)Index of Refraction: 1.424; (5)Molar Refractivity: 48.4 cm³; (6)Molar Volume: 189.5 cm³; (7)Polarizability: 19.18x10^-24cm³; (8)Surface Tension: 23.5 dyne/cm; (9)Enthalpy of Vaporization: 39.06 kJ/mol; (10)Boiling Point: 171 °C at 760 mmHg; (11)Vapour Pressure: 1.9 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-chloro-propene and 4,4,5,5,4',4',5',5'-octamethyl-[2,2']bi[[1,3,2]dioxaborolanyl]. This reaction will need reagent CuCl, AcOK, LiCl and solvent bdimethylformamide. The reaction time is 16 hour(s) with reaction temperature of 20 ℃. The yield is about 53%.

Uses of Allylboronic acid pinacol ester: it can be used to produce tetradec-1-en-4-ol with undecanal at temperature of 5 -78 ℃ This reaction will need reagent Sc(OTf)₃ and solvent toluene with reaction time of 16 hours. The yield is about 73%.

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable and it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. 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: O1B(OC(C)(C)C1(C)C)C\C=C
(2)InChI: InChI=1/C9H17BO2/c1-6-7-10-11-8(2,3)9(4,5)12-10/h6H,1,7H2,2-5H3
(3)InChIKey: YMHIEPNFCBNQQU-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C9H17BO2/c1-6-7-10-11-8(2,3)9(4,5)12-10/h6H,1,7H2,2-5H3
(5)Std. InChIKey: YMHIEPNFCBNQQU-UHFFFAOYSA-N