2-Hydroxy-6-methoxybenzoic acid
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2-Hydroxy-6-methoxybenzoic acid
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CAS No:
3147-64-6
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Formula:
C8H8O4
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Chemical Name:
2-Hydroxy-6-methoxybenzoic acid
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Synonyms:
Benzoic acid,2-hydroxy-6-methoxy-;o-Anisic acid,6-hydroxy-;2-Hydroxy-6-methoxybenzoic acid;6-Methoxysalicylic acid;2-Hydroxy-6-methoxybenzenecarboxylic acid
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CAS No:
Description
2-Hydroxy-6-methoxybenzoic acid can be used for the determination of acetylsalicylic acid and its major metabolite, salicylic acid, in animal plasma. 2-Hydroxy-6-methoxybenzoic acid exhibits significant analgesic effects[1][2].
6-Methoxysalicylic acid is a methoxybenzoic acid.
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 43 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Hydroxy-6-methoxybenzoic acid Use and Manufacturing
Step 2: Methyl 2-hydroxy-6-methoxybenzoate (18) 15 A solution of (CAS 3147-64-6; 10 g, 0.06 mmol, 1 eq.) is dissolved in DMF (50 mL), HATU (33.93 g, 0.09 mmol, 1.5 eq.) is added, followed 15 min later by cyclopropylamine (CAS 765-30-0; 10.18 g, 0.18 mmol, 3 eq.), and DIPEA (34.55 g, 0.26 mmol, 4.5 eq.). The reaction mixture is allowed to stir at RT for 18 h; then 1 eq. of HATU, 2 eq. of cyclopropylamine and 2 eq. of DIPEA are added. The reaction mixture is stired at RT for 68 h. The reaction mixture is concentrated in vacuo.Purification is performed by flash chromatography on silica gel (eluting with heptane/EtOAc 100/0 to 50/50). The collected fractions are concentrated in vacuo and triturated twice with MeOH/Et20. The filtrate is concentrated in vacuo to afford the desired product.LCMS: MW (calcd): 207.2; m/z MW (obsd): 208.4 (M+H)
Computed Properties
Molecular Weight:168.15
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:168.04225873
Monoisotopic Mass:168.04225873
Topological Polar Surface Area:66.8
Heavy Atom Count:12
Complexity:168
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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