PHENYL 2-HYDROXY-4,5-DIMETHOXYBENZOATE
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PHENYL 2-HYDROXY-4,5-DIMETHOXYBENZOATE
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CAS No:
877997-98-3
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Formula:
C15H14O5
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Chemical Name:
PHENYL 2-HYDROXY-4,5-DIMETHOXYBENZOATE
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Synonyms:
Benzoic acid,2-hydroxy-4,5-dimethoxy-,phenyl ester (for Acotiamide);Benzoic acid,2-hydroxy-4,5-dimethoxy-,phenyl ester;Acotiamide Impurity 35;Phenyl 2-hydroxy-4,5-dimethyoxybenzoate;Ethyl 2-(2-hydroxy-4,5-diMethoxybenzaMido)thiazole-4-carboxylate;PHENYL 2-HYDROXY-4,5-DIMETHOXYBENZOATE;Phenyl 2-hydroxy-4,5-dimethoxybenzoate Benzoic acid,2-hydroxy-4,5-dimethoxy-,phenyl ester (for Acotiamide);2-Hydroxy-4,5-dimethoxybenzoic acid phenyl ester
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CAS No:
PHENYL 2-HYDROXY-4,5-DIMETHOXYBENZOATE Basic Attributes
274.27
274.08400
1806241-263-5
DTXSID80698444
2918990090
Characteristics
64.99000
3.5
1.250±0.06 g/cm3(Predicted)
431.2±45.0 °C(Predicted)
8.83±0.23(Predicted)
Sealed in dry,Room Temperature
PHENYL 2-HYDROXY-4,5-DIMETHOXYBENZOATE Use and Manufacturing
Toluene (1.5 g) was mixed with P(OPh)250 ml reaction flask is added 2-hydroxy -4, 5-dimethoxybenzoate [formula (2)] (11.8g), triphenyl phosphite (20g, ), toluene (23 ml), protection of nitrogen, adding sulfuric acid under stirring (0.6 ml), heating to 110-115°C, thermal insulation reaction 3.5-4.5h, 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, by adding methanol (70 ml), to continue cooling to 15-25°C, thermal crystallization 0.5-1h, filtering, the filter cake methanol 20 ml washing, drying, 40 °C blast drying to constant weight, receiving, shall be 2-hydroxy -4, 5-dimethoxy-phenyl ester formate 11.4 g.(1)
Computed Properties
Molecular Weight:274.27
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:274.08412354
Monoisotopic Mass:274.08412354
Topological Polar Surface Area:65
Heavy Atom Count:20
Complexity:313
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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PHENYL 2-HYDROXY-4,5-DIMETHOXYBENZOATE
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