3-AMINO-3-[3-(TRIFLUOROMETHYL)PHENYL]PROPANOIC ACID Chemical Properties

Melting point:

210-212°C

Boiling point:

295.2±40.0 °C(Predicted)

Density 

1.361±0.06 g/cm3(Predicted)

storage temp. 

under inert gas (nitrogen or Argon) at 2–8 °C

pka

3.58±0.10(Predicted)

Appearance

White to light yellow Solid

CAS DataBase Reference

143438-91-9(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

HazardClass 

IRRITANT

HS Code 

2922498590

3-AMINO-3-[3-(TRIFLUOROMETHYL)PHENYL]PROPANOIC ACID Usage And Synthesis

Synthesis

1. malonic acid (298.82 g, 2.872 mol), ammonium formate (362.14 g, 5.743 mol), and 3-(trifluoromethyl)benzaldehyde (500 g, 2.873 mol) were mixed in 1000 mL of ethanol. 2. The mixture was heated and refluxed for 12 h. 3. Upon completion of the reaction, ethanol was removed by evaporation. 4. The residue was milled with 2500 The residue was ground with 2500 mL of acetone. 5. The solid was collected by filtration and dried to give 3-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid (255 g) as a white solid. 6. The product was confirmed by NMR hydrogen spectroscopy (400 MHz, AcOH-d4): δ 7.87-7.81 (m, 2H), 7.74 (d, 1H, J = 7.6 Hz), 7.66- 7.62 (m, 1H), 7.66- 7.62 (m, 1H). 7.62 (m, 1H), 4.98 (br.s, 1H), 3.36 (dd, 1H, J = 16.0, 8.0 Hz), 3.13 (dd, 1H, J = 17.6, 5.6 Hz). 7. Mass spectrometry analysis revealed: m/z 234 (M + 1).

References

[1] Journal of Heterocyclic Chemistry, 2017, vol. 54, # 4, p. 2440 - 2446
[2] Patent: WO2017/144183, 2017, A1. Location in patent: Page/Page column 65

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