Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1185019Generated: October 30, 2026

1,3-Propanediol → 2-(4-(tert-Butyl)-2-(1,3-dioxan-2-yl)phenyl)-4,4-dimethyl-4,5-dihydrooxazole

https://huagongshe.com/reaction/1185019

Reaction equation

Participants

RoleNameHCIDCharge
Reactant1,3-PropanediolHCID 10442—
ReactantBenzenesulfonic acid, 4-methyl-, compd. with pyridine (1:1)HCID 466102—
Reactant5-(tert-Butyl)-2-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)benzaldehydeHCID 58016193—
SolventTolueneHCID 1140—
Product2-(4-(tert-Butyl)-2-(1,3-dioxan-2-yl)phenyl)-4,4-dimethyl-4,5-dihydrooxazoleHCID 5947381421.7%

Reaction Steps

A mixture of 101d (60 g, 0.23 mol), pyridinium p-toluenesulfonate (4 g, 0.02 mol) and 1,3-propanediol (60 mL) in toluene (500 mL) was heated to reflux overnight and cooled to room temperature upon the completion of reaction determined by LCMS. The reaction mixture was washed with 200 mL of 50 percent aqueous NaHCO3, 200 mL of water, and 200 mL of brine. The organic layer was dried over Na2SO4, filtered and concentrated in vacuo to give a residue which was purified by silica gel chromatography using EtOAc/petroleum ether=1:5 as eluent to provide 101e (16 g, 21.7%) as a clear yellow gum. LCMS (ESI) 318 (M+H)+. 1HNMR (300 MHz, CDCl3) δ 7.79 (s, 1H), 7.67 (d, J=8.0 Hz, 1H), 7.36 (dd, J=1.6, 8.4 Hz, 1H), 6.32 (s, 1H), 4.23 (dd, J=5.2, 11.2 Hz, 2H), 4.06 (s, 2H), 4.04-3.98 (m, 2H), 2.27-2.21 (m, 1H), 1.48-1.38 (m, 1H), 1.38 (s, 6H), 1.32 (s, 9H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08669251B2
Source datasetuspto-grants-2014_03
ORD IDord-5049fb6a74574447baf63b83d143ac72
Source noteuspto-grants-2014_03