HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 74750Generated: October 29, 2026
Acetonitrile → Cyclohepta-2,4,6-trien-1-ylacetonitrile
https://huagongshe.com/reaction/74750
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Acetonitrile | HCID 6342 | — |
| Reactant | Cycloheptatrienylium, tetrafluoroborate(1-) (1:1) | HCID 152926 | — |
| Reactant | Lithium diisopropylamine | HCID 45051747 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | Cyclohepta-2,4,6-trien-1-ylacetonitrile | HCID 85933971 | 25.6% |
Reaction Steps
To a solution of anhydrous acetonitrile (3.12 mL, 56.2 mmol, 1 eq.) in tetrahydrofuran (281 mL, 0.2 M) was added lithium diisopropylamine (1.8 M in heptane/ethylbenzene/tetrahydrofuran, 31.2 mL, 56.2 mmol, 1 eq.) at −78° C. After 20 minutes at −78° C., tropylium tetrafluoroborate (10 g, 56 mmol, 1 eq.) was added. After 10 minutes, the reaction was concentrated in vacuo and the residue was diluted with ethyl acetate and washed with water. The organic layer was dried over sodium sulfate, filtered, and concentrated in vacuo to provide a brown oil, which was purified by silica gel chromatography (Gradient: 0% to 10% ethyl acetate in heptane) to provide #61 (1.88 g, 25%) as a yellow oil. 1H NMR (400 MHz, CDCl3) δ 6.69-6.71 (m, 2H), 6.27-6.32 (m, 2H), 5.28-5.33 (m, 2H), 2.61 (d, J=7.2 Hz, 2H), 2.26-2.34 (m, 1H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08828401B2 |
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| Source dataset | uspto-grants-2014_09 |
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| ORD ID | ord-1ceb4c422f6a46b5aff2cda1291cd4fb |
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| Source note | uspto-grants-2014_09 |
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