4-Acetylphenylboronic acid

The 4-Acetylphenylboronic acid , with cas registry number of 149104-90-5, belongs to the categories of (1)acetyl group ; (2)blocks ; (3)Boronic Acid series ; (4)Acetyl ; (5)Aryl ; (6)Organoborons ; (7)B (Classes of Boron Compounds) ; (8)Boronic Acids and Derivatives. It is white to light yellow crystal powder. Both its IUPAC name and the systematic name are called (4-acetylphenyl)boronic acid .

Physical properties of 4-Acetylphenylboronic acid are: (1) ACD/LogP: 1.04 ; (2) # of Rule of 5 Violations: 0 ; (3) #H bond acceptors: 3 ; (4) #H bond donors: 2 ; (5) #Freely Rotating Bonds: 4 ; (6) Index of Refraction: 1.535 ; (7) Molar Refractivity: 42.65 cm³ ; (8) Molar Volume: 136.8 cm³ ; (9) Surface Tension: 45.3 dyne/cm ; (10) Density: 1.19 g/cm³ ; (11) Flash Point: 168 °C ; (12) Enthalpy of Vaporization: 63.23 kJ/mol ; (13) Boiling Point: 354.2 °C at 760 mmHg ; (14) Vapour Pressure: 1.25E-05 mmHg at 25°C.

Preparation of 4-Acetylphenylboronic acid : this chemical can be prepared in this way.

This reaction need two steps. In this process, diethanolamine and aq. HCl are used as reagents. The reaction time is about 30 min. The yield is about 58%.

Uses of 4-Acetylphenylboronic acid : This chemical is always used to prepare other chemical. For example,

This reaction need three reagents including water, dimethyl dicarbonate , P(p-MeOPh)₃, one catalyst of Pd (OAc)₂, and solvent of tetrahydrofuran at the temperature of 50 ℃. The reaction time is about 16 hours with yield of 69%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin.Wear suitable protective clothing, suitable gloves and eye/face protection during using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Make sure keep it cold all the time.

You can still convert the following datas into molecular structure:
(1) SMILES:O=C(c1ccc(B(O)O)cc1)C;
(2) InChI:InChI=1/C8H9BO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5,11-12H,1H3;
(3) InChIKey:OBQRODBYVNIZJU-UHFFFAOYAX