| Identification | More | [Name]
Methyl 4-methoxysalicylate | [CAS]
5446-02-6 | [Synonyms]
2-HYDROXY-4-METHOXY-BENZOIC ACID METHYL ESTER
4-METHOXYSALICYLIC ACID METHYL ESTER
ASISCHEM Z67646
METHYL 2-HYDROXY-4-METHOXYBENZOATE
METHYL 4-METHOXYSALICYLATE
RARECHEM AL BF 0038
Benzoic acid, 2-hydroxy-4-methoxy-, methyl ester
2-Hydroxy-4-methoxybenzoic acid methyl ester~Methyl 4-methoxysalicylate
Methyl P-Methoxysalicylate
MethylP-Methoxysalicylate(2-Hydroxy-4-MethoxybenzoicAcidMethylEster)
methyl 2-hydroxy-p-anisate
Methyl 2-hydroxy-4-methoxybenzoate 98%
methyl 2-hydroxy-4-methoxybenzoic acid
4-Methoxysalicylic Acid Methyl
Methyl-2 hydroxy-4-4-Methoxybenzoate | [EINECS(EC#)]
226-657-5 | [Molecular Formula]
C9H10O4 | [MDL Number]
MFCD00008424 | [Molecular Weight]
182.17 | [MOL File]
5446-02-6.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystalline powder | [Melting point ]
50-53 °C (lit.) | [Boiling point ]
134°C 7mm | [density ]
1.1634 (rough estimate) | [refractive index ]
1.4600 (estimate) | [Fp ]
>230 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Crystalline Powder or Crystals | [pka]
9.38±0.10(Predicted) | [color ]
White to light yellow | [Water Solubility ]
Soluble in acetone. Insoluble in water. | [BRN ]
2691644 | [InChI]
1S/C9H10O4/c1-12-6-3-4-7(8(10)5-6)9(11)13-2/h3-5,10H,1-2H3 | [InChIKey]
ZICRWXFGZCVTBZ-UHFFFAOYSA-N | [SMILES]
COC(=O)c1ccc(OC)cc1O | [LogP]
2.430 (est) | [CAS DataBase Reference]
5446-02-6(CAS DataBase Reference) | [NIST Chemistry Reference]
Methyl 4-methoxysalicylate(5446-02-6) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HS Code ]
29189900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystalline powder | [Uses]
Methyl 4-methoxysalicylate (methyl 2-hydroxy-4-methoxybenzoate) was used in the enantioselective synthesis of (+)-coriandrone A and B, two bioactive natural products. | [Synthesis]
General procedure for the synthesis of methyl 4-methoxysalicylate from methyl 4-methoxybenzoate: Ru(MesCO2)(L) (p-cymene) [L=2,2'-bipyridine or 4,4'-dibromo bipyridine] (2.5 mol%), oxidizing agent (2.0 eq.), and methyl 4-methoxybenzoate (1.0 eq.) were added to a sealed tube. Subsequently, a mixture of trifluoroacetic acid (TFA) and trifluoroacetic anhydride (TFAA) in the ratio of 0.6 mL:0.4 was added. The reaction mixture was placed in an oil bath preheated to 110 °C and stirred until the reaction was complete, and the reaction process was continuously monitored by thin layer chromatography (TLC). Upon completion of the reaction, the reaction mixture was quenched by the addition of ice water and extracted with dichloromethane. The organic layer was dried with anhydrous sodium sulfate (Na2SO4) and subsequently concentrated by rotary evaporator. Finally, the residue was purified by silica gel column chromatography to afford the target product methyl 4-methoxysalicylate. | [References]
[1] Tetrahedron Letters, 2017, vol. 58, # 38, p. 3743 - 3746 |
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