Boronic acid,B-(4-methyl-1-naphthalenyl)- (103986-53-4)

The 1-Methylnaphthalene-4-boronic acid is an organic compound with the formula C₁₁H₁₁BO₂. The IUPAC name of this chemical is (4-methylnaphthalen-1-yl)boronic acid. With the CAS registry number 103986-53-4, it is also named as 4-Methylnaphthalen-1-ylboronic acid. The product's categories are Blocks; BoronicAcids; Aryl; Boronic Acids; Boronic Acids and Derivatives.

Physical properties about this chemical are: (1)ACD/LogP: 3.28; (2)ACD/LogD (pH 5.5): 3.28; (3)ACD/LogD (pH 7.4): 3.27; (4)ACD/BCF (pH 5.5): 183.1; (5)ACD/BCF (pH 7.4): 178.13; (6)ACD/KOC (pH 5.5): 1449.41; (7)ACD/KOC (pH 7.4): 1410.08; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 18.46Ų; (12)Index of Refraction: 1.623; (13)Molar Refractivity: 55.46 cm₃; (14)Molar Volume: 157.2 cm³; (15)Polarizability: 21.98×10^-24cm³; (16)Surface Tension: 48.4 dyne/cm; (17)Density: 1.18 g/cm³; (18)Flash Point: 187.4 °C; (19)Enthalpy of Vaporization: 67 kJ/mol; (20)Boiling Point: 386.3 °C at 760 mmHg; (21)Vapour Pressure: 1.17E-06 mmHg at 25°C.

Uses of 1-Methylnaphthalene-4-boronic acid: it can be used to produce 1,2-bis(4-methyl-1-naphthyl)benzene by heating. This reaction is a kind of Suzuki coupling. It will need reagent 1,2-dibromo-benzene and solvent ethanol with reaction time of 8 hours. The yield is about 33%.

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 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: OB(O)c2c1ccccc1c(cc2)C
(2)InChI: InChI=1/C11H11BO2/c1-8-6-7-11(12(13)14)10-5-3-2-4-9(8)10/h2-7,13-14H,1H3
(3)InChIKey: JHVQEUGNYSVSDH-UHFFFAOYAU 
(4)Std. InChI: InChI=1S/C11H11BO2/c1-8-6-7-11(12(13)14)10-5-3-2-4-9(8)10/h2-7,13-14H,1H3
(5)Std. InChIKey:JHVQEUGNYSVSDH-UHFFFAOYSA-N