| Identification | Back Directory | [Name]
3-CHLORO-4-FLUOROCINNAMIC ACID | [CAS]
155814-22-5 | [Synonyms]
RARECHEM BK HW 0061
3-Chloro-4-fluorocinnamicaci
3-CHLORO-4-FLUOROCINNAMIC ACID
3-(3-chloro-4-fluorophenyl)acrylic acid
3-CHLORO-4-FLUOROCINNAMIC ACID USP/EP/BP
(E)-3-(3-Chloro-4-fluorophenyl)-2-propenoic acid
(2E)-3-(3-chloro-4-fluorophenyl)prop-2-enoic acid
trans-3-(3-Chloro-4-fluorophenyl)-2-propenoic acid
2-Propenoic acid, 3-(3-chloro-4-fluorophenyl)-, (2E)- | [Molecular Formula]
C9H6ClFO2 | [MDL Number]
MFCD01631393 | [MOL File]
155814-22-5.mol | [Molecular Weight]
200.59 |
| Chemical Properties | Back Directory | [Melting point ]
173-175°C | [Boiling point ]
326℃ | [density ]
1.420 | [Fp ]
151℃ | [storage temp. ]
Sealed in dry,2-8°C | [Appearance]
White to off-white Solid |
| Hazard Information | Back Directory | [Uses]
3-Chloro-4-fluorocinnamic Acid (CAS# 58537-11-4) can be used to prepare chemokine receptor modulators. | [Synthesis]
GENERAL METHOD: 3-chloro-4-fluorobenzaldehyde (10 mmol), malonic acid (30 mmol, 3.12 g), and piperidine (0.5 mL) were dissolved in pyridine (20 mL), and the reaction mixture was heated under reflux conditions for 4 hours. Upon completion of the reaction, the solution was cooled to room temperature and slowly poured into pre-cooled aqueous 3M HCl solution (100 mL). The precipitated white solid precipitate was collected by filtration and washed sequentially with deionized water (350 mL), 5% w/v NaHCO3 aqueous solution (20 mL) and deionized water (250 mL). The resulting solid was dried in an oven at 60 °C to constant weight. If necessary, the crude product was purified by recrystallization through EtOH/H2O mixed solvent. | [References]
[1] Tetrahedron, 2016, vol. 72, # 46, p. 7256 - 7262
[2] Journal of Medicinal Chemistry, 2003, vol. 46, # 3, p. 409 - 416 |
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