| Identification | More | [Name]
3-Amino-3-(3-fluorophenyl)propanoic acid | [CAS]
117391-51-2 | [Synonyms]
3-(3-FLUOROPHENYL)-BETA-ALANINE
3-AMINO-3-(3-FLUOROPHENYL)PROPANOIC ACID
3-AMINO-3-(3-FLUORO-PHENYL)-PROPIONIC ACID
3-FLUOROPHENYL-BETA-DL-ALANINE
BIO-FARMA BF000152
DL-3-AMINO-3-(3-FLUORO-PHENYL)-PROPIONIC ACID
DL-BETA-(3-FLUORO-PHENYL)ALANINE
RARECHEM AK HC T308
VITAS-BB TBB000014
(S)-2-AMINO-3-(2''-FLUOROPHENYL)PROPANOIC ACID 98+%
3-(3-fluoro-phenyl)-DL-beta-alanine | [Molecular Formula]
C9H10FNO2 | [MDL Number]
MFCD00764457 | [Molecular Weight]
183.18 | [MOL File]
117391-51-2.mol |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302-H315-H319-H335 | [Precautionary statements ]
P261-P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
2916399090 |
| Hazard Information | Back Directory | [Uses]
3-Amino-3-(3-fluorophenyl)propanoic Acid is a useful research intermediate for organic synthesis. | [Synthesis]
To 5.00 g (40.3 mmol) of 3-fluorobenzaldehyde was added 20 mL of ethanol followed by 4.19 g (40.3 mmol) of malonic acid and 4.66 g (60.4 mmol) of ammonium acetate. The mixture was heated to 80 to 90°C with stirring and the reaction was refluxed for 7 hours. Upon completion of the reaction, the reaction mixture was cooled to 0 to 5°C and stirring was continued for 1 h. Subsequent filtration afforded 4.27 g of 3-amino-3-(3-fluorophenyl)propionic acid (racemic mixture) as a white powder (57.9% isolated yield based on 3-fluorobenzaldehyde).
The physical properties of 3-amino-3-(3-fluorophenyl)propionic acid (racemic mixture) were as follows:
1H-NMR (δ (ppm), D2O): 2.83 (dd, 1H, J = 16.1, 6.8 Hz), 2.90 (dd, 1H, J = 16.1, 7.8 Hz), 4.67 (dd, 1H, J = 6.8, 7.8 Hz), 7.2-7.5 (m, 5H).
13C-NMR (δ (ppm), D2O): 43.4, 55.1, 116.9, 119.0, 125.7, 134.0, 141.5, 164.3, 179.9.
MS (EI) m/z: 183 (M+).
MS (CI, i-C4H10) m/z: 184 (MH+). | [References]
[1] Journal of Organic Chemistry, 2009, vol. 74, # 23, p. 9152 - 9157
[2] Advanced Synthesis and Catalysis, 2017, vol. 359, # 9, p. 1570 - 1576
[3] Patent: EP1621529, 2006, A1. Location in patent: Page/Page column 37-38
[4] Tetrahedron Asymmetry, 2008, vol. 19, # 17, p. 2072 - 2077
[5] Advanced Synthesis and Catalysis, 2010, vol. 352, # 2-3, p. 395 - 406 |
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