| Identification | Back Directory | [Name]
3-Chloro-4-fluoro Methyl benzoate | [CAS]
234082-35-0 | [Synonyms]
Chloro-4-fluorobenzoate
methyl 3-Chloro-6-fluorobenzoate
3-Chloro-4-fluoro Methyl benzoate
Benzoic acid, 3-chloro-4-fluoro-, methyl ester | [Molecular Formula]
C8H6ClFO2 | [MDL Number]
MFCD06203675 | [MOL File]
234082-35-0.mol | [Molecular Weight]
188.58 |
| Chemical Properties | Back Directory | [Boiling point ]
238℃ | [density ]
1.314 | [Fp ]
102℃ | [storage temp. ]
Sealed in dry,Room Temperature | [Appearance]
White to off-white Solid-Liquid Mixture | [InChI]
InChI=1S/C8H6ClFO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,1H3 | [InChIKey]
RUTYNTBIMOCJMW-UHFFFAOYSA-N | [SMILES]
C(OC)(=O)C1=CC=C(F)C(Cl)=C1 |
| Hazard Information | Back Directory | [Chemical Properties]
off-white powder | [Uses]
Methyl 3-chloro-4-fluorobenzoate is a halogenated organic compound that could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research. | [Synthesis]
Example 1 Preparation of methyl 3-chloro-4-fluorobenzoate
In a 250 mL four-necked round-bottomed flask assembled with a mechanical stirrer, condenser tube and thermometer, 86.5 g of 3-chloro-4-fluorobenzoyl chloride was added. 28.1 g of anhydrous methanol was added slowly through a constant pressure dropping funnel. The reaction was exothermic and the temperature was raised to 60 °C spontaneously. The titration rate of methanol was controlled to maintain the reaction temperature at about 60 °C. The reaction mixture was stirred for 1 hour and the excess methanol was removed by distillation. A final 80 g of yellow oily material was obtained as methyl 3-chloro-4-fluorobenzoate in 97.29% yield. | [References]
[1] Patent: WO2003/95417, 2003, A1. Location in patent: Page/Page column 6 |
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