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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1643706Generated: October 26, 2026

Iodine → 3,5-Bis-benzyloxy-4-(2-methyl-allyl)-benzoic acid tert-butyl ester

https://huagongshe.com/reaction/1643706

Reaction equation

Participants

RoleNameHCIDCharge
ReactantIodineHCID 807—
Reactant3-Bromo-2-methyl-1-propeneHCID 357785—
ReactantLithium ChlorideHCID 433294—
Reactanttert-Butyl 3,5-bis(benzyloxy)-4-bromobenzoateHCID 10389923—
ReactantButyllithiumHCID 178418339—
ReactantHCID 178418365HCID 178418365—
ReactantHCID 178418546HCID 178418546—
SolventTetrahydrofuranHCID 8028—
Product3,5-Bis-benzyloxy-4-(2-methyl-allyl)-benzoic acid tert-butyl esterHCID 5956002184.4%

Reaction Conditions

Temperature-78 °C

Reaction Steps

To a suspension of Mg pieces (7.9 g, 0.23 mol) in THF (250 mL) was added a catalytic amount of I2, followed by addition of i-PrMgBr (15 mL, 0.16 mol) drop wise. The mixture was heated slowly until refluxed violently. After stirring for 2 hr, the resulting mixture was added to THF (200 mL) and cooled to 0° C. n-BuLi (128 mL, 2.5 M in hexane, 0.32 mol) was added drop wise at 0° C. The mixture was cooled to −78° C. and 3,5-bis-benzyloxy-4-bromo-benzoic acid tert-butyl ester (200c) (50 g, 0.107 mol) was added drop wise. After the mixture was stirred for 1 hr, CuCN (2.85 g, 0.032 mol), LiCl (2.7 g, 0.064 mol), and 3-bromo-2-methyl-propene (43 mL, 0.43 mol) were added sequentially. After stirring for another 30 min at −78° C., TLC (EtOAc/petroleum ether=1/10) showed the reaction was complete. The mixture was quenched with saturated aqueous NH4Cl (150 mL). The aqueous layer was extracted with EtOAc (2×100 mL). The organic layer was washed with brine, dried over Na2SO4 and concentrated to give the title compound as a yellow oil (40 g, 84.4% yield).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08119624B2
Source datasetuspto-grants-2012_02
ORD IDord-9e02da337b264b11be08884c9ab8928e
Source noteuspto-grants-2012_02