ChemicalBook--->CAS DataBase List--->143438-91-9

143438-91-9

143438-91-9 Structure

143438-91-9 Structure
IdentificationMore
[Name]

3-AMINO-3-[3-(TRIFLUOROMETHYL)PHENYL]PROPANOIC ACID
[CAS]

143438-91-9
[Synonyms]

3-[3-(TRIFLUOROMETHYL)PHENYL]-BETA-ALANINE
3-AMINO-3-[3-(TRIFLUOROMETHYL)PHENYL]PROPANOIC ACID
3-AMINO-3-(3-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID
DL-3-AMINO-3-(3-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID
RARECHEM AK HW 0018
DL-3-AMINO-3-(3-TRIFLUOROMETHYL-PHENYL)-PHENYLPROPIONIC ACID
[Molecular Formula]

C10H10F3NO2
[MDL Number]

MFCD02653329
[Molecular Weight]

233.19
[MOL File]

143438-91-9.mol
Chemical PropertiesBack Directory
[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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[Hazard Codes ]

Xi
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

2922498590
Spectrum DetailBack Directory
[Spectrum Detail]

3-AMINO-3-[3-(TRIFLUOROMETHYL)PHENYL]PROPANOIC ACID(143438-91-9)1HNMR
Hazard InformationBack Directory
[Synthesis]

Malonic acid

141-82-2

3-(Trifluoromethyl)benzaldehyde

454-89-7

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

143438-91-9

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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