Methyl 2-hydroxy-3-methoxybenzoate
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Methyl 2-hydroxy-3-methoxybenzoate
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CAS No:
6342-70-7
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Formula:
C9H10O4
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Chemical Name:
Methyl 2-hydroxy-3-methoxybenzoate
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Synonyms:
Benzoic acid,2-hydroxy-3-methoxy-,methyl ester;m-Anisic acid,2-hydroxy-,methyl ester;Methyl 2-hydroxy-3-methoxybenzoate;Methyl 3-methoxysalicylate;2-Hydroxy-3-methoxybenzoic acid methyl ester;NSC 46637
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CAS No:
Methyl 2-hydroxy-3-methoxybenzoate Basic Attributes
182.17
182.17
228-737-5
46637
DTXSID30212836
2918990090
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S36
Xi:Irritant;
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Methyl 2-hydroxy-3-methoxybenzoate Use and Manufacturing
2-Hydroxy-3-methoxybenzoic acid (1.68 g, 9.28 mmol) was dissolved in MeOH (30 μl), and then H2SO4 (2 μl) was slowly added thereto and refluxed for 16 hours. After cooling to room temperature, the reaction solution was concentrated under reduced pressure by evaporation, diluted with EtOAc and washed with water.The organic solvent was dried over anhydrous MgSO4, filtered and concentrated by evaporation under reduced pressure. The resultant residue was separated and purified by silica gel chromatography (n-Hex / EtOAc = 5/1) to obtain the target compound methyl 2-hydroxy- Methoxybenzoate (1.62 g, 96percent).A [0437] 25.5 g (0.152 mol) of 2-hydroxy-3-methoxybenzoic acid are introduced into 250 ml of methanol comprising 1 ml of sulphuric acid. The combined mixture is brought to reflux for 4 days and concentrated to dryness, and then the residue is extracted with ethyl acetate. The extract is subsequently washed with water, a 10percent sodium carbonate solution, water and a sodium chloride solution. [0438] In this way, 25.2 g of the desired compound are obtained. Yield: 91.2percent M.p.: 68-69° C.
Computed Properties
Molecular Weight:182.17
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:182.05790880
Monoisotopic Mass:182.05790880
Topological Polar Surface Area:55.8
Heavy Atom Count:13
Complexity:181
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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