| Identification | More | [Name]
3-(3-FLUOROPHENYL)PROPIONIC ACID | [CAS]
458-45-7 | [Synonyms]
3-(3-FLUOROPHENYL)PROPANOIC ACID
3-(3-FLUOROPHENYL)PROPIONIC ACID
3-(3-FLUOROPHENYL)PROPRIONIC ACID
3-FLUOROHYDROCINNAMIC ACID
AKOS BC-2702
ASINEX-REAG BAS 12820389
BENZENEPROPANOIC ACID, 3-FLUORO-
TIMTEC-BB SBB010231 | [Molecular Formula]
C9H9FO2 | [MDL Number]
MFCD01310821 | [Molecular Weight]
168.16 | [MOL File]
458-45-7.mol |
| Chemical Properties | Back Directory | [Melting point ]
43-47 °C(lit.) | [Boiling point ]
125 °C10.5 mm Hg(lit.) | [density ]
1.222±0.06 g/cm3(Predicted) | [Fp ]
230 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
4.59±0.10(Predicted) | [color ]
White to Brown | [CAS DataBase Reference]
458-45-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,C | [Risk Statements ]
R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
2
| [Hazard Note ]
Corrosive | [HazardClass ]
CORROSIVE | [HS Code ]
29163990 |
| Hazard Information | Back Directory | [Chemical Properties]
White solid | [Synthesis]
Step 1 (MZ-S1): trans-3-fluorocinnamic acid (20 g, 121.9 mmol) was hydrogenated in ethanol for 2 h under hydrogen atmosphere (7 psi) with 10% Pd/C (2 g) as catalyst. After completion of the reaction, the mixture was filtered through diatomaceous earth and washed with ethanol. The filtrate was concentrated under reduced pressure to give 19.5 g (97% yield) of MZ-S1 as an off-white solid, which could be used in subsequent steps without further purification. | [References]
[1] Patent: WO2014/140279, 2014, A1. Location in patent: Page/Page column 91; 177
[2] Patent: US2004/39014, 2004, A1
[3] Bioorganic and Medicinal Chemistry Letters, 2000, vol. 10, # 14, p. 1519 - 1522
[4] Patent: US5486541, 1996, A
[5] Patent: WO2008/85505, 2008, A1. Location in patent: Page/Page column 83-84 |
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