ChemicalBook--->CAS DataBase List--->117391-49-8

117391-49-8

117391-49-8 Structure

117391-49-8 Structure
IdentificationBack Directory
[Name]

3-AMINO-3-(2-FLUORO-PHENYL)-PROPIONIC ACID
[CAS]

117391-49-8
[Synonyms]

RARECHEM AK HC T305
3-AMINO-3-(2-FLUOROPHENYL)PROPANOIC ACID
β-amino-β-(2-fluorophenyl)propionic acid
Benzenepropanoic acid, β-amino-2-fluoro-
3-AMINO-3-(2-FLUORO-PHENYL)-PROPIONIC ACID
3-Amino-3-(2-fluorophenyl)propanoicacid95%
DL-3-Amino-3-(2-fluorophenyl)propanoic acid
DL-3-AMINO-3-(2-FLUORO-PHENYL)-PROPIONIC ACID
(RS)-3-Amino-3-(2-fluorophenyl)-propionic acid
3-amino-3-(2-fluorophenyl)propanoic acid(SALTDATA: FREE)
[EINECS(EC#)]

604-604-1
[Molecular Formula]

C9H10FNO2
[MDL Number]

MFCD00193241
[MOL File]

117391-49-8.mol
[Molecular Weight]

183.18
Chemical PropertiesBack Directory
[Melting point ]

222-224
[Boiling point ]

302.6±32.0 °C(Predicted)
[density ]

1.289±0.06 g/cm3(Predicted)
[storage temp. ]

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

3.67±0.10(Predicted)
[Appearance]

White to off-white Solid
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[HazardClass ]

IRRITANT
[HS Code ]

2922390090
Spectrum DetailBack Directory
[Spectrum Detail]

3-AMINO-3-(2-FLUORO-PHENYL)-PROPIONIC ACID(117391-49-8)1HNMR
Hazard InformationBack Directory
[Synthesis]

Malonic acid

141-82-2

2-Fluorobenzaldehyde

446-52-6

3-AMINO-3-(2-FLUORO-PHENYL)-PROPIONIC ACID

117391-49-8

GENERAL METHOD: Malonic acid (1.04 g, 10 mmol) and ammonium formate (1.26 g, 20 mmol) were dissolved in ethanol (50 mL), followed by the addition of 2-fluorobenzaldehyde (10 mmol). The reaction mixture was heated to reflux for 7 hours. After completion of the reaction, it was cooled to room temperature and the crude product was collected by filtration. The crude product was purified by recrystallization (using 95% ethanol as a solvent) to give 3-amino-3-(2-fluorophenyl)propionic acid as a final white solid.

[References]

[1] European Journal of Medicinal Chemistry, 2018, vol. 143, p. 402 - 418
[2] Advanced Synthesis and Catalysis, 2010, vol. 352, # 2-3, p. 395 - 406
[3] Advanced Synthesis and Catalysis, 2017, vol. 359, # 9, p. 1570 - 1576
[4] ACS Medicinal Chemistry Letters, 2014, vol. 5, # 11, p. 1207 - 1212
[5] Journal of Organic Chemistry, 2009, vol. 74, # 23, p. 9152 - 9157
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