4-(Methoxymethyl)phenol

4-(methoxymethyl)phenol is a member of the class of phenols that is p-cresol in which one of the methyl hydrogens has been replaced by a methoxy group. It has a role as a plant metabolite.

Into a 100 mL three-necked flask equipped with a thermometer, a three-way cock, and a stirring bar, under a nitrogen stream, 3.96 g (0.03 mol) of 4-hydroxybenzyl alcohol (manufactured by Tokyo Chemical Industry Co., Ltd.), 21 g of methanol (manufactured by Nacalai Tesque, Inc.), two drops of nitromethane (manufactured by Nacalai Tesque, Inc.) were added. While stirring at room temperature, 0.2 g of hydrochloric acid (manufactured by Nacalai Tesque, Inc.) was added dropwise, followed by stirring at 30 ° C. for 5 hours.The area percentage of HPLC at the end of the reaction was 95percent. 0.28 g of pyridine (manufactured by Nacalai Tesque, Inc.) and 8 g of toluene (manufactured by Nacalai Tesque, Inc.) were added and neutralized, methanol was concentrated under reduced pressure, 31 g of toluene and 6 g of water were added to extract And the organic layer was washed with 5 g of water. The obtained organic layer was concentrated, cooled to 10 ° C. or less, and the precipitated crystals were filtered and dried to obtain 3.53 g (yield: 80percent) of colorless 4-methoxymethylphenol. The HPLC purity was 99percent (excluding solvent toluene).

Molecular Weight:138.16
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:138.068079557
Monoisotopic Mass:138.068079557
Topological Polar Surface Area:29.5
Heavy Atom Count:10
Complexity:85.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes