4-Propylphenylboronic acid Chemical Properties

Melting point:

89-97 °C (lit.)

Boiling point:

299.1±33.0 °C(Predicted)

Density 

1.05±0.1 g/cm3(Predicted)

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

pka

8.71±0.10(Predicted)

form 

Crystalline Powder

color 

White to off-white

InChI

InChI=1S/C9H13BO2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7,11-12H,2-3H2,1H3

InChIKey

WLCGYIWOKVWFLB-UHFFFAOYSA-N

SMILES

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

CAS DataBase Reference

134150-01-9(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Safety Statements 

24/25

WGK Germany 

3

Hazard Note 

Irritant

HS Code 

29319090

Storage Class

11 - Combustible Solids

Hazard Classifications

Aquatic Chronic 4

MSDS

• Language:English Provider:SigmaAldrich

4-Propylphenylboronic acid Usage And Synthesis

Chemical Properties

White solid

Uses

Reactant for:

• Palladium/carbon-catalyzed Suzuki coupling reactions
• Preparation of biologically and pharmacologically active molecules

Uses

Intermediates of Liquid Crystals

Uses

suzuki reaction

Synthesis

To a 250-mL round-bottomed flask, magnesium powder (0.72 g, 0.03 mol), 4-propylbromobenzene (2 g, 0.01 mol), tributyl borate ester (4 g, 0.02 mol), 20 mL of tetrahydrofuran dried over molecular sieves and fitted with a reflux condenser tube. In an ultrasonic cleaner heating to 40 ??C and then subjected to ultrasonic radiation, and the reaction was completed after 1 hour. Add 5 mL of 2 mol-L-1 hydrochloric acid and stir for a few moments to separate the organic layer. The aqueous layer was extracted with ethyl acetate (10 mL x 2), several layers were combined and washed with water to neutral, dried and the solvent was removed to give to the crude product. Recrystallization was carried out with ethanol:water = 2:1, and after drying under reduced pressure 1.11 g of solid powder was obtained in 68% yield.

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