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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 368842Generated: October 26, 2026

2-Phenylethanol → ethyl 3,4-dihydro-1H-2-benzopyran-1-acetate

https://huagongshe.com/reaction/368842

Reaction equation

Participants

RoleNameHCIDCharge
Reactant2-PhenylethanolHCID 6054—
ReactantEthyl 3,3-diethoxypropionateHCID 66389—
CatalystTitanium TetrachlorideHCID 24193—
SolventNitromethaneHCID 6375—
Productethyl 3,4-dihydro-1H-2-benzopyran-1-acetateHCID 10822798—

Reaction Steps

Titanium tetrachloride (1M in methylene chloride, 90 ml, 90.0 mmol) is added over a period of 20 minutes to an ice-cooled mixture of phenethyl alcohol (XLV, 4.9 ml, 41.0 mmol), ethyl 3,3-diethoxypropionate (LXXV, 9.1 ml, 46.8 mmol) and nitromethane (17 ml). The mixture is stirred for 2 hr and then concentrated, diluted with ether, poured into ice/hydrochloric acid (1N), and allowed to stir. The phases are separated and the aqueous phase is extracted three times with ether. The combined organic phases are backwashed with saline, dried over magnesium sulfate and concentrated. The residue is chromatographed on silica gel eluting with ethyl acetate/hexane (10/90). The appropriate fractions are pooled and concentrated to give ethyl (±)-(isochroman-1-yl)acetate (LXXVII), NMR (CDCl3) 1.28, 2.68-3.04, 3.82, 4.13, 4.22, 5.26, 7.05 and 7.16 δ.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS06133446
Source datasetuspto-grants-2000_10
ORD IDord-b5c2f26e53234191932eecb750729a72
Source noteuspto-grants-2000_10