3-(DIMETHYLCARBAMOYL)PHENYLBORONIC ACID Chemical Properties

Melting point:

122-128°C

Boiling point:

423.0±47.0 °C(Predicted)

Density 

1.20±0.1 g/cm3(Predicted)

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

solubility 

slightly sol. in Methanol

form 

powder to crystal

pka

7.94±0.10(Predicted)

color 

White to Almost white

InChI

InChI=1S/C9H12BNO3/c1-11(2)9(12)7-4-3-5-8(6-7)10(13)14/h3-6,13-14H,1-2H3

InChIKey

DCXXIDMHTQDSLY-UHFFFAOYSA-N

SMILES

B(C1=CC=CC(C(N(C)C)=O)=C1)(O)O

CAS DataBase Reference

373384-14-6(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38-36

Safety Statements 

26-36/37/39

Hazard Note 

Irritant/Keep Cold

HazardClass 

IRRITANT

HS Code 

2931900090

3-(DIMETHYLCARBAMOYL)PHENYLBORONIC ACID Usage And Synthesis

Synthesis

Sodium hydroxide (5. 84 g, 146 mmol) was dissolved in 300 mL of water, p-methylphenylboronic acid (10. 00 g, 73 ) was added. mmol), and add potassium permanganate (23. 05 g, 146 mmol) in water (500 mL) slowly in batches. After addition, the temperature was raised to 100 ??C . Reflow and stir the reaction overnight. After the reaction was complete, the temperature was lowered to 50 ??, 200 mL of ethanol was added, the manganese dioxide was removed by filtration, and the filtrate was concentrated to 100 mL. The filtrate was concentrated to 100 mL. The concentrate was slowly adjusted to acid with hydrochloric acid, a precipitate was generated, filtered, and the filter cake was washed with a small amount of water and recrystallized with water to obtain 4-carboxyphenylboronic acid (10. 30 g, 85%) as a colorless solid.

3-(DIMETHYLCARBAMOYL)PHENYLBORONIC ACID(373384-14-6)Related Product Information

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