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| | 3-AMINO-3-[3-(TRIFLUOROMETHYL)PHENYL]PROPANOIC ACID Basic information |
| Product Name: | 3-AMINO-3-[3-(TRIFLUOROMETHYL)PHENYL]PROPANOIC ACID | | Synonyms: | RARECHEM AK HW 0018;DL-3-AMINO-3-(3-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID;DL-3-AMINO-3-(3-TRIFLUOROMETHYL-PHENYL)-PHENYLPROPIONIC ACID;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-trifluoromethylphenyl)propanoic acid;3-TrifluoroMethyl-DL-b-phenylalanine | | CAS: | 143438-91-9 | | MF: | C10H10F3NO2 | | MW: | 233.19 | | EINECS: | | | Product Categories: | B-Amino | | Mol File: | 143438-91-9.mol | ![3-AMINO-3-[3-(TRIFLUOROMETHYL)PHENYL]PROPANOIC ACID Structure](CAS/GIF/143438-91-9.gif) |
| | 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) |
| 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 |
| | 3-AMINO-3-[3-(TRIFLUOROMETHYL)PHENYL]PROPANOIC ACID Preparation Products And Raw materials |
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