3-Nitro-4-(trifluoromethoxyl)benzoic acid Chemical Properties

Boiling point:

318.9±42.0 °C(Predicted)

Density 

1.628

storage temp. 

Sealed in dry,Room Temperature

pka

3.25±0.10(Predicted)

form 

tiny crystalline needles

color 

Faint to pale lemon

Safety Information

HS Code 

2922498590

3-Nitro-4-(trifluoromethoxyl)benzoic acid Usage And Synthesis

Chemical Properties

off-white powder

Synthesis

Step 1: Synthesis of 3-nitro-4-(trifluoromethoxy)benzoic acid 4-(Trifluoromethoxy)benzoic acid (900 mg, 4.37 mmol) was dissolved in concentrated hydrochloric acid. Concentrated sulfuric acid (9 mL) was cooled at 0 °C and a concentrated sulfuric acid (4.5 mL) solution of potassium nitrate (486 mg, 4.80 mmol) was slowly added. The reaction temperature was maintained at 0°C with continuous stirring for 2 hours. After completion of the reaction, the mixture was poured into water (50 mL) and extracted with ethyl acetate (150 mL). The organic phase was washed sequentially with brine (2 x 100 mL), dried over anhydrous sodium sulfate, and concentrated to dryness under reduced pressure to afford the crude product 3-nitro-4-(trifluoromethoxy)benzoic acid (1.05 g, 4.18 mmol, 96% yield, MS/ESI+ m/z 252.1 [M+H]+). The crude product can be used directly in the next reaction without further purification.

References

[1] Patent: US2014/155391, 2014, A1. Location in patent: Paragraph 0651; 0652
[2] Bioorganic and Medicinal Chemistry, 2017, vol. 25, # 21, p. 5995 - 6006
[3] Patent: US6268387, 2001, B1
[4] Patent: WO2007/31791, 2007, A1. Location in patent: Page/Page column 137
[5] Patent: WO2008/59214, 2008, A1. Location in patent: Page/Page column 147-148

3-Nitro-4-(trifluoromethoxyl)benzoic acid(784-77-0)Related Product Information

• 3-NITRO-4-(TRIFLUOROMETHYL)BENZOIC ACID
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