2,6-Dimethoxyphenylboronic acid

The CAS register number of 2,6-Dimethoxyphenylboronic acid is 23112-96-1. It also can be called as Boronic acid, B-(2,6-dimethoxyphenyl)- and the IUPAC name about this chemical is (2,6-dimethoxyphenyl)boronic acid. The molecular formula about this chemical is C₈H₁₁BO₄ and the molecular weight is 181.98. It belongs to the following product categories, such as Blocks; BoronicAcids; Boronic acids; Heterocyclic Compounds; Boronic Acid; Alkoxy; Aryl; Organoborons; Boronic Acids; Boronic Acids and Derivatives and so on.  If you want to store this chemical, please keep it in a closed container and store it in a cool, dry place. When you are using it, please avoid contact with oxides.

Physical properties about 2,6-Dimethoxyphenylboronic acid are: (1)ACD/LogP: 1.30; (2)ACD/LogD (pH 5.5): 1.3; (3)ACD/LogD (pH 7.4): 1.27; (4)ACD/BCF (pH 5.5): 5.73; (5)ACD/BCF (pH 7.4): 5.37; (6)ACD/KOC (pH 5.5): 121.34; (7)ACD/KOC (pH 7.4): 113.84; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 36.92Ų; (12)Index of Refraction: 1.517; (13)Molar Refractivity: 46.01 cm³; (14)Molar Volume: 151.8 cm³; (15)Polarizability: 18.24x10^-24cm³; (16)Surface Tension: 43 dyne/cm; (17)Enthalpy of Vaporization: 65.41 kJ/mol; (18)Boiling Point: 372.8 °C at 760 mmHg; (19)Vapour Pressure: 3.22E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,3-dimethoxy-benzene. This reaction will need reagent n-BuLi, (i-PrO)₃B and solvent diethyl ether, hexane, diethyl ether, hexane. The reaction steps is 2. The yield is about 77%.

Uses of 2,6-Dimethoxyphenylboronic acid: it can be used to produce 2,3-bis-(2,6-dimethoxy-phenyl)-[1,4]naphthoquinone with 2,3-dichloro-[1,4]naphthoquinone at heating. This reaction is a kind of Suzuki coupling. It will need reagent Pd(PPh₃)₄, sodium carbonate and solvent toluene, H₂O with reaction time of 40 hours. The yield is about 51%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, 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(c1cccc(OC)c1B(O)O)C
(2)InChI: InChI=1/C8H11BO4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5,10-11H,1-2H3
(3)InChIKey: BKWVXPCYDRURMK-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C8H11BO4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5,10-11H,1-2H3
(5)Std. InChIKey: BKWVXPCYDRURMK-UHFFFAOYSA-N