3 5-DIFLUOROSALICYLALDEHYDE 97 Chemical Properties

Melting point:

87-91 °C (lit.)

Boiling point:

181.9±35.0 °C(Predicted)

Density 

1.464±0.06 g/cm3(Predicted)

storage temp. 

Keep in dark place,Sealed in dry,Room Temperature

form 

solid

pka

6.94±0.23(Predicted)

color 

White to off-white

InChI

InChI=1S/C7H4F2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H

InChIKey

QGSAZWCEHUYVMW-UHFFFAOYSA-N

SMILES

C(=O)C1=CC(F)=CC(F)=C1O

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36

WGK Germany 

3

HS Code 

2912490090

3 5-DIFLUOROSALICYLALDEHYDE 97 Usage And Synthesis

Uses

3,5-Difluorosalicylaldehyde may be used in the synthesis of Ni[CpFe(η⁵-C₅H₄)-C(O)CH=C(CH₃)N-o-C₆H₄N=CH-(2-O,3,5-F₂-C₆H₂)] (Cp = cyclopentyl) and Zn(salphenazine) complex.

General Description

3,5-Difluorosalicylaldehyde has been synthesized by employing 2,4-difluorophenol as a starting reagent.

Synthesis

Phosphoryl chloride (12 g, 77 mmol) was slowly added dropwise to anhydrous N,N-dimethylformamide (8.4 g, 0.12 mol) at 0 °C and under nitrogen protection while maintaining stirring. After the dropwise addition, the reaction mixture was continued to be stirred at this temperature for 30 min. Subsequently, a solution of N,N-dimethylformamide (50 mL) of 2,4-difluorophenol (5.0 g, 39 mmol) was slowly added dropwise to the above mixture. After completion of the dropwise addition, the reaction mixture was transferred to room temperature conditions with continuous stirring for 5 hours. Upon completion of the reaction, the reaction was carefully quenched with water and extracted with ethyl acetate (3 x 150 mL). The organic phases were combined, washed sequentially with water and saturated brine, dried over anhydrous sodium sulfate, and finally concentrated under reduced pressure to afford the target product 3,5-difluoro-2-hydroxybenzaldehyde (5.5 g, 90% yield) as a yellow oil.

References

[1] Patent: WO2015/66371, 2015, A1. Location in patent: Paragraph 00326-00327

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