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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1095434Generated: November 2, 2026

p-Toluenesulfonic acid → HCID 59799419, compound

https://huagongshe.com/reaction/1095434

Reaction equation

Participants

RoleNameHCIDCharge
Reactantp-Toluenesulfonic acidHCID 6101—
ReactantTrimethyl orthoformateHCID 9005—
ReactantSodium BicarbonateHCID 516892—
ReactantHCID 59799431HCID 59799431—
SolventMethanolHCID 887—
SolventDichloromethaneHCID 6344—
ProductHCID 59799419HCID 5979941959%

Reaction Steps

To a magnetically stirred solution of toluene-4-sulfonic acid 7-oxo-7-[4-(trifluoromethyl)phenyl]heptyl ester (2.77 g, 6.464 mmol) in methanol (75 ml), a catalytic amount of para-toluenesulfonic acid (0.097 g, 0.508 mmol) and excess trimethylorthoformate (16 ml, 142 mmol) were successively added. The resulting mixture was heated at reflux temperature for 20 hours. After allowing the reaction mixture to attain room temperature saturated aqueous NaHCO3 and dichloromethane were successively added. The separated organic layer was washed with saturated aqueous NaHCO3. The organic layer was subsequently dried over Na2SO4, filtered and concentrated in vacuo to give crude toluene-4-sulfonic acid 7,7-dimethoxy-7-[4-(trifluoromethyl)phenyl]heptyl ester which was purified by column chromatography (alumina, ethylacetate/heptane= 1/10 (v/v)) to give pure toluene-4-sulfonic acid 7,7-dimethoxy-7-[4-(trifluoromethyl)phenyl]heptyl ester (1.82 g, 59% yield). 1H-NMR (400 MHz, CDCl3) δ 0.84-0.93 (m, 2H), 1.06-1.26 (m, 4H), 1.51-1.57 (m, 2H), 1.80-1.86 (m, 2H), 2.44 (s, 3H), 3.13 (s, 6H), 3.94 (t, J=7, 2H), 7.32 (d, J˜8, 2H), 7.55 (d, J˜8, 2H), 7.60 (d, J˜8, 2H), 7.75 (d, J˜8, 2H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08138174B2
Source datasetuspto-grants-2012_03
ORD IDord-bab984471618434ca7ae5345a9cae8d4
Source noteuspto-grants-2012_03