Methyl 3-chloro-4-fluorobenzoate
Methyl 3-chloro-4-fluorobenzoate Basic information
- Product Name:
- Methyl 3-chloro-4-fluorobenzoate
- Synonyms:
-
- Chloro-4-fluorobenzoate
- methyl 3-Chloro-6-fluorobenzoate
- 3-Chloro-4-fluoro Methyl benzoate
- Benzoic acid, 3-chloro-4-fluoro-, methyl ester
- methyl 3-chloro-4-fluorobenzoate
- CAS:
- 234082-35-0
- MF:
- C8H6ClFO2
- MW:
- 188.58
- Mol File:
- 234082-35-0.mol
Methyl 3-chloro-4-fluorobenzoate Chemical Properties
- Boiling point:
- 238℃
- Density
- 1.314
- Flash point:
- 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
Methyl 3-chloro-4-fluorobenzoate Usage And Synthesis
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
67-56-1
65055-17-6
234082-35-0
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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