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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1844379Generated: November 2, 2026

(1-Bromo-2,2-dimethylpropyl)benzene → HCID 87316481, compound

https://huagongshe.com/reaction/1844379

Reaction equation

Participants

RoleNameHCIDCharge
Reactant(1-Bromo-2,2-dimethylpropyl)benzeneHCID 14912426—
ReactantPotassium ethanethioateHCID 23670855—
SolventDimethylformamideHCID 6228—
ProductHCID 87316481HCID 8731648199.1%

Reaction Conditions

Temperature50 °C

Reaction Steps

(1-Bromo-2,2-dimethyl-propyl)-benzene (1.00 g, 4.40 mmol) was dissolved in dry DMF (5 mL) under an argon atmosphere. Potassium thioacetate (2.51 g, 22.0 mmol) was added and the reaction was heated to 50° C. for 7 days. The solution was then concentrated and the product purified by column chromatography to obtain the desired thioester (970 mg, 99%). TLC (Hexane:CH2Cl2, 7:3 v/v): Rf=0.40. 1H NMR (400 MHz, CDCl3): δ 7.33-7.22 (m, 5H), 4.52 (s, 1H), 2.32 (s, 3H), 1.00 (s, 9H). 13C NMR (100 MHz, CDCl3): δ 193.9 (q), 140.4 (q), 129.0, 127.2, 126.4, 58.7, 34.9 (q), 30.2, 27.6. HRMS (m/z): [M+Na]+ calcd. for C13H18ONaS 245.0976; found, 245.0972.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08946429B2
Source datasetuspto-grants-2015_02
ORD IDord-75eafea52e424fd195bda8cfc61eaa40
Source noteuspto-grants-2015_02