1-(4-BroMo-2-fluorophenyl)cyclopropanecarboxylic acid
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1-(4-BroMo-2-fluorophenyl)cyclopropanecarboxylic acid
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CAS No:
872422-15-6
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Formula:
C10H8BrFO2
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Chemical Name:
1-(4-BroMo-2-fluorophenyl)cyclopropanecarboxylic acid
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Synonyms:
1-(4-Bromo-2-fluorophenyl)cyclopropanecarboxylic acid;1-(4-Bromo-2-fluorophenyl)cyclopropane-1-carboxylic acid;ACMC-209qj5;C10H8BrFO2;SCHEMBL351360;1-(4-Bromo-2-fluorophenyl)cyclopropanecarboxylic acid;CTK8B2527;DTXSID50735537;KS-00000QR4;ANW-38655
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CAS No:
1-(4-BroMo-2-fluorophenyl)cyclopropanecarboxylic acid Basic Attributes
259.0717232
257.969
DTXSID50735537
1-(4-BroMo-2-fluorophenyl)cyclopropanecarboxylic acid Use and Manufacturing
Step 1. A solution of the compound (24.6 g, 102 mmol) obtained in Example 14-2) and potassium hydroxide (46 g, 820 mmol) in ethanol (200 ml) and water (40 ml) was heated to reflux for 7 h. The reaction mixture was cooled to room temperature, and then 5 N hydrochloric acid was added until the reaction mixture was rendered acidic. The deposited solid was collected by filtration, washed with water, and then dried to obtain the title compound (28.7 g, quant.) as a colorless solid. In a 1 L round-bottomed flask, l-(4-bromo-2-fluorophenyl)cyclopropanecarbonitrile (1 1.2 g, 46.7 mmol) and LiOH (58 g, 1.38 mol) were combined with water (230 mL) to give a yellow suspension. The mixture was heated in an oil bath at 100 °C overnight. The mixture was diluted to 1 L with water and ice and extracted with ethyl ether (3 x 300 mL). There was some white insoluble material between phases that was not included in aqueous layer. The aqueous layer was acidified with concentrated HC1 (ca. 1 10 mL) slowly with addition of ice. A very fine precipitate formed and the milky solution was not filtered but extracted with DCM (4 x 250 ml). The organic layers were combined, dried over MgS0
Computed Properties
Molecular Weight:259.07
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:257.96917
Monoisotopic Mass:257.96917
Topological Polar Surface Area:37.3
Heavy Atom Count:14
Complexity:253
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-(4-BroMo-2-fluorophenyl)cyclopropanecarboxylic acid
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