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
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | (1-Bromo-2,2-dimethylpropyl)benzene | HCID 14912426 | — |
| Reactant | Potassium ethanethioate | HCID 23670855 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | HCID 87316481 | HCID 87316481 | 99.1% |
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
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08946429B2 |
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| Source dataset | uspto-grants-2015_02 |
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| ORD ID | ord-75eafea52e424fd195bda8cfc61eaa40 |
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| Source note | uspto-grants-2015_02 |
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