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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 74082Generated: October 26, 2026

Ammonia → 1,3-Di-tert-butylbenzene

https://huagongshe.com/reaction/74082

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAmmoniaHCID 222—
ReactantLithiumHCID 3028194—
ReactantPhosphoric acid 2,4-di-tert-butyl-phenyl ester diethyl esterHCID 57567401—
SolventDiethyl EtherHCID 3283—
Product1,3-Di-tert-butylbenzeneHCID 136810—

Reaction Conditions

Temperature-78 °C

Reaction Steps

To NH3 (liquid, 250 mL) was added a solution of phosphoric acid 2,4-di-tert-butyl-phenyl ester diethyl ester (51 g, crude from last step, about 0.2 mol) in Et2O (anhydrous, 150 mL) at −78° C. under N2 atmosphere. Lithium metal was added to the solution in small pieces until a blue color persisted. The reaction mixture was stirred at −78° C. for 15 min and then quenched with sat. NH4Cl solution until the mixture turned colorless. Liquid NH3 was evaporated and the residue was dissolved in water, extracted with Et2O (300 mL×2). The combined organic phases were dried over Na2SO4 and concentrated to give crude 1,3-di-tert-butyl-benzene as a yellow oil (30.4 g, 94% over 2 steps, contaminated with some mineral oil), which was used directly in next step.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08829204B2
Source datasetuspto-grants-2014_09
ORD IDord-5726bb87ba1d452eb2348167de93e97b
Source noteuspto-grants-2014_09