3-chloro-4-(methoxycarbonyl)benzoic acid
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3-chloro-4-(methoxycarbonyl)benzoic acid
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CAS No:
55737-77-4
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Formula:
C9H7ClO4
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Chemical Name:
3-chloro-4-(methoxycarbonyl)benzoic acid
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Synonyms:
3-Chloro-4-(methoxycarbonyl)benzoic acid;3-chloro-4-methoxycarbonylbenzoic acid;1,4-Benzenedicarboxylic acid, 2-chloro-, 1-methyl ester;SCHEMBL1483403;CTK8B7425;DTXSID10559534;ANW-57262;ZINC34284923;AKOS016001508;CS-W019886
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CAS No:
3-chloro-4-(methoxycarbonyl)benzoic acid Basic Attributes
214.60248
214.00300
DTXSID10559534
2918990090
3-chloro-4-(methoxycarbonyl)benzoic acid Use and Manufacturing
To 3-amino-4-methoxycarbonylbenzoic acid (0.98 g, 5 itunol) suspended in 12 M hydrochloric acid (25 mL) and acetic acid (25 mL), an aqueous solution (10 mL) of sodium nitrite (0.35 g, 5 mmol) was added at -10°C, and the resulting solution was stirred for 30 minutes. The solution was added to copper chloride (I) (0.99 g, 10mmol) in 12 M hydrochloric acid (25 mL) at -10°C, and the resulting reaction mixture was stirred at room temperature for 1 hour. After addition of ethyl acetate, the reaction mixture was washed with water, dried over magnesium sulfate, filtered through celite and purified by silica gel column chromatography to give 0.44 g of the desired product as a colorless solid (yield 39percent). Example 72
Computed Properties
Molecular Weight:214.60
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:214.0032864
Monoisotopic Mass:214.0032864
Topological Polar Surface Area:63.6
Heavy Atom Count:14
Complexity:241
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-chloro-4-(methoxycarbonyl)benzoic acid
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