4-Amino-5-chloro-2,3-dihydro-7-benzofurancarboxylic acid
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4-Amino-5-chloro-2,3-dihydro-7-benzofurancarboxylic acid
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CAS No:
123654-26-2
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Formula:
C9H8ClNO3
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Chemical Name:
4-Amino-5-chloro-2,3-dihydro-7-benzofurancarboxylic acid
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Synonyms:
4-Amino-5-chloro-2,3-dihydro-7-benzofurancarboxylic acid;4-Amino-5-chloro-2,3-dihydrobenzo[b]furan-7-carboxylic acid;4-aMino-5-chloro-2,3-dihydrobenzofuran-7-carboxylic acid;4-AMino-5-chloro-2,3-dihydro-7-benzofurane karboxylic acid;4-amino-5-chloro-2,3-dihydro-1-benzofuran-7-carboxylic acid;Prucalopride Impurity A
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CAS No:
4-Amino-5-chloro-2,3-dihydro-7-benzofurancarboxylic acid Basic Attributes
213.61772
213.019272
1592732-453-0
DTXSID50442754
2932999099
4-Amino-5-chloro-2,3-dihydro-7-benzofurancarboxylic acid Use and Manufacturing
The resulting intermediate 7 (30 g, 0.11 mol), water (150 mL), Propylene glycol monomethyl ether (36mL) and 50percent sodium hydroxide solution (90mL), slowly heated to 90 ° C with stirring, the same temperature for 8h, the reaction was monitored by TLC. After the reaction is completed, Cooled to 5 ° C with ice bath and stirred for 2h, filtered with suction, The filter cake was washed with an appropriate amount of water added to 500mL single-necked flask, Water (210 mL) and propylene glycol monomethyl ether (35 mL) were added, The temperature of the reaction solution was raised to 80 ° C and the reaction solution became homogeneous.Dilute dilute hydrochloric acid, adjust pH to about 3, precipitated solid.After cooling to 10 ° C, stirring was continued for 2h. Suction filtration, The filter cake was washed with an appropriate amount of water and dried to give an off-white solid, Yield 20.8g, yield 89.8percent, purity 99percentb) The resulting intermediate 7 (30 g, 0.11 mol), water (150 mL), Propylene glycol monomethyl ether (36mL) and 50% sodium hydroxide solution (90mL), slowly heated to 90 C with stirring, the same temperature for 8h, the reaction was monitored by TLC. After the reaction is completed, Cooled to 5 C with ice bath and stirred for 2h, filtered with suction, The filter cake was washed with an appropriate amount of water added to 500mL single-necked flask, Water (210 mL) and propylene glycol monomethyl ether (35 mL) were added, The temperature of the reaction solution was raised to 80 C and the reaction solution became homogeneous.Dilute dilute hydrochloric acid, adjust pH to about 3, precipitated solid.After cooling to 10 C, stirring was continued for 2h. Suction filtration, The filter cake was washed with an appropriate amount of water and dried to give an off-white solid, Yield 20.8g, yield 89.8%, purity 99%To a solution of 150g
Computed Properties
Molecular Weight:213.62
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:213.0192708
Monoisotopic Mass:213.0192708
Topological Polar Surface Area:72.6
Heavy Atom Count:14
Complexity:248
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-Amino-5-chloro-2,3-dihydro-7-benzofurancarboxylic acid
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