BENZOIC ACID, 4-BROMO-3,5-DIETHOXY-, ETHYL ESTER

Step 1: Synthesis of ethyl 4-bromo-3, 5-diethoxybenzoate: A mixture of 4- bromo-3, 5-dihydroxybenzoic acid (2.0 g, 8.6 mmol), EtI (6.7 g, 43.0 mmol) and K5.1.52 [0376] Potassium carbonate (89.0 g) and iodoethane (60.1 mL) was added to a solution of 4-bromo-3, 5-dihydroxybenzoic acid (50.0 g) in DMF (300 mL), and the resultant was stirred for 2 hours at 60°C. After the reaction mixture was cooled to room temperature, water was added thereto, extraction thereof was performed using ethyl acetate, and the resultant was washed with a saturated saline solution. The obtained organic layer was passed through a silica gel column chromatography (NH, ethyl acetate), and then the solvent was distilled off under reduced pressure. The obtained solid was sequentially washed with diethyl ether and hexane, thereby obtaining the title compound (55.8 g). 1H NMR (300 MHz, CDC1Potassium carbonate (89.0 g) and iodoethane (60.1 mL) were added to a DMF (300 mL) solution of 4-bromo-3, 5-dihydroxybenzoic acid (50.0 g), and the mixture was stirred at 60° C. for 2 hours.

Molecular Weight:317.17
XLogP3:3.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:316.03102
Monoisotopic Mass:316.03102
Topological Polar Surface Area:44.8
Heavy Atom Count:18
Complexity:243
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes