| Identification | Back Directory | [Name]
ethyl 2-(3,5-dimethoxyphenyl)acetate | [CAS]
65976-77-4 | [Synonyms]
Ethyl 2-(3,5-dimethoxyphenyl)
ethyl 2-(3,5-dimethoxyphenyl)acetate
(3,5-dimethoxy-phenyl)-acetic acid ethyl ester
Benzeneacetic acid, 3,5-diMethoxy-, ethyl ester | [Molecular Formula]
C12H16O4 | [MDL Number]
MFCD11111879 | [MOL File]
65976-77-4.mol | [Molecular Weight]
224.25 |
| Chemical Properties | Back Directory | [Boiling point ]
144-146 °C(Press: 5 Torr) | [density ]
1.084±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [Appearance]
Colorless to light yellow Liquid | [InChI]
InChI=1S/C12H16O4/c1-4-16-12(13)7-9-5-10(14-2)8-11(6-9)15-3/h5-6,8H,4,7H2,1-3H3 | [InChIKey]
LPMABDMACJOZAT-UHFFFAOYSA-N | [SMILES]
C1(CC(OCC)=O)=CC(OC)=CC(OC)=C1 |
| Hazard Information | Back Directory | [Synthesis]
Step 1: 3,5-dimethoxyphenylacetic acid (1.35 g, 6.88 mmol) was dissolved in ethanol and concentrated hydrochloric acid (4 drops) was added. The reaction mixture was heated to reflux at 85°C for 16 hours. After completion of the reaction, it was cooled to room temperature and concentrated under reduced pressure. The residue was diluted with distilled water (20 mL) and extracted with dichloromethane (25 mL x 3). The organic layers were combined, washed with saturated saline (50 mL), dried over anhydrous sodium sulfate and concentrated under reduced pressure to give ethyl 2-(3,5-dimethoxyphenyl)acetate (2.85 g, 100%) as a yellow solid. | [References]
[1] Patent: WO2014/144737, 2014, A1. Location in patent: Paragraph 00718
[2] Journal of Medicinal Chemistry, 1984, vol. 27, # 2, p. 190 - 195
[3] MedChemComm, 2013, vol. 4, # 2, p. 332 - 339
[4] Chinese Journal of Chemistry, 2010, vol. 28, # 6, p. 1041 - 1043 |
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