2-HYDROXY-4,5-DIMETHOXY BENZOIC ACID
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2-HYDROXY-4,5-DIMETHOXY BENZOIC ACID
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CAS No:
5722-93-0
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Formula:
C9H10O5
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Chemical Name:
2-HYDROXY-4,5-DIMETHOXY BENZOIC ACID
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CAS No:
Characteristics
76
1.6
1.3±0.1 g/cm3
213-214℃ (decomposition)
361.5±42.0°C at 760 mmHg
146.7±21.4 °C
1.566
2-HYDROXY-4,5-DIMETHOXY BENZOIC ACID Use and Manufacturing
Add to the reaction flaskInto the sodium hydroxide(0.75 mol)And 100 mL of water, Stirring to clarify, The preparation of was followedMethyl-2-hydroxy-4, 5-dimethoxybenzoate(0.25 mol) was suspended in the alkali solutionAnd stirred at room temperature for about 3.0 h.TLC shows the reaction is complete, the control temperature of 10 ° C, dropping dilute hydrochloric acid to adjust the pH value to 4.0, stirring, filtration, drying, 2-hydroxy-4, 5-dimethoxy benzoic acid 47.4g, mol yield 95.2 percent, HPLC purity 99.5percent.(4) N.(1) (3) 250 ml into the reaction bottle 2-iodo -4, 5-dimethoxybenzoate [formula (1)] (45.0g), anhydrous copper sulfate (2.3g), 10percent aqueous sodium hydroxide solution (675 ml), pyridine (10.0 ml), protection of nitrogen, stirred and heated up to 90 °C, thermal insulation reaction 2-2.5h, sampling detection, the reaction is complete (if not the reaction is complete to continue to heat insulation reaction 0.5h) rear, cooling to 20-30°C, filter, collect filtrate, the under stirring 6N hydrochloric acid (270 ml) in dropping into the filtrate, cooling to 15-25°C, preserving heat and stirring crystallization 0.5-1h, filtering, the filter cake 100 ml water washing, drying, 75-85 °C blast baking the 2.5-3h, constant heavy, receiving, shall be 2-hydroxy -4, 5-dimethoxybenzoate 27.4 g.
Computed Properties
Molecular Weight:198.17
XLogP3:1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:198.05282342
Monoisotopic Mass:198.05282342
Topological Polar Surface Area:76
Heavy Atom Count:14
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-HYDROXY-4,5-DIMETHOXY BENZOIC ACID
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