2,3,4-Trimethoxyphenylboronic acid

The IUPAC name of 2,3,4-Trimethoxyphenylboronic acid is (2,3,4-trimethoxyphenyl)boronic acid. With the CAS registry number 118062-05-8, it is also named as 2-Methoxy-3-methoxy-4-methoxyphenyldihydroxyborane. The product's categories are Blocks; Boronic Acids; Aryl; Boronic Acids; Boronic Acids and Derivatives. Besides, it is solid, which should be stored in tightly sealed containers in a cool, dry place. And you should ensure that the workplaces have well ventilated or exhaust devices. In addition, its molecular formula is C₉H₁₃BO₅ and molecular weight is 212.01.

The other characteristics of 2,3,4-Trimethoxyphenylboronic acid can be summarized as: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.03; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3.56; (6)ACD/BCF (pH 7.4): 3.3; (7)ACD/KOC (pH 5.5): 86.29; (8)ACD/KOC (pH 7.4): 80.02; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 46.15 Å²; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 52.38 cm³; (15)Molar Volume: 174 cm³; (16)Polarizability: 20.76×10^-24cm³; (17)Surface Tension: 43.6 dyne/cm; (18)Density: 1.21 g/cm³; (19)Flash Point: 178.3 °C; (20)Enthalpy of Vaporization: 65.21 kJ/mol; (21)Boiling Point: 371.1 °C at 760 mmHg; (22)Vapour Pressure: 3.65E-06 mmHg at 25 °C.

Uses of this chemical: it can react with 5-bromo-benzo[1,3]dioxole to get 3,4-methylenedioxy-2',3',4'-trimethoxybiphenyl.



This reaction needs Ba(OH)₂, Pd(OAc)₂, aq. ethanol at ambient temperature for 2 hours. The yield is 96 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
(1)SMILES: O(c1c(ccc(OC)c1OC)B(O)O)C
(2)InChI: InChI=1/C9H13BO5/c1-13-7-5-4-6(10(11)12)8(14-2)9(7)15-3/h4-5,11-12H,1-3H3
(3)InChIKey: LDQLSQRFSNMANA-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C9H13BO5/c1-13-7-5-4-6(10(11)12)8(14-2)9(7)15-3/h4-5,11-12H,1-3H3
(5)Std. InChIKey: LDQLSQRFSNMANA-UHFFFAOYSA-N