2-Chloro-6-hydroxybenzoic acid
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2-Chloro-6-hydroxybenzoic acid
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CAS No:
56961-31-0
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Formula:
C7H5ClO3
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Chemical Name:
2-Chloro-6-hydroxybenzoic acid
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Synonyms:
Benzoic acid,2-chloro-6-hydroxy-;Salicylic acid,6-chloro-;2-Chloro-6-hydroxybenzoic acid;6-Chlorosalicylic acid
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CAS No:
2-Chloro-6-hydroxybenzoic acid Use and Manufacturing
Intermediate 5: 2-Chloro-6-hvdroxybenzoic acid; To a solution of 2-chloro-6-{[(methyloxy)methyl]oxy}benzoic acid (for a preparation see Intermediate 4)(2 g, 9.23 mmol) in THF (20 ml) was added 6 M aqueous HCI (20 ml, 120 mmol). The solution was stirred at ambient temperature for 3 h. The solution was partitioned between ethyl acetate (150 ml) and water (30 ml). The phases were separated and the organic extract washed with water (25 ml). The organic extract was dried (MgSO4), filtered and the solvent removed in vacuo to give the title compound as a white solid (1.54 g); LCMS: (System 1 ) (M-H) = 171 , tRET = 3.26 min.1) 2-Chloro-6-hydroxybenzoic acid (100 mg, 0.58 mmol) was dissolved in 5 mL of DMF, followed by K2CO3 (317 mg, 2.30 mmol) and 2-bromopropane (150 mg, 1.22 mmol), reacted at 100 C, TLC monitoring, after the reaction is completed, the reaction solution is poured into 50 mL of water.Pour 5 mL of saturated brine and extract the solution three times with ethyl acetate (30 mL*3).The organic phase was collected and directly dried to give an oily substance. The crude oily intermediate 1 was dissolved using 5 mL of EtOH/H2O=5:1 mixed solution.
Computed Properties
Molecular Weight:172.56
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:171.9927217
Monoisotopic Mass:171.9927217
Topological Polar Surface Area:57.5
Heavy Atom Count:11
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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