Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | p-Toluenesulfonic acid | HCID 6101 | — |
| Reactant | Ethyl Acetoacetate | HCID 8868 | — |
| Reactant | Sodium ethoxide | HCID 2723922 | — |
| Reactant | 2-Amino-1-benzyl-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile | HCID 13012179 | — |
| Solvent | Ethanol | HCID 702 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | Toluene | HCID 1140 | — |
| Product | HCID 13012191 | HCID 13012191 | — |
Reaction Steps
The title compound was prepared using a modified procedure (see below) to that described by H. J. Roth et al., Arch. Pharmaz., 1976, 309, 597. 2-Amino-1-benzyl-3-cyano-4,5,6,7-tetrahydroindole (D1) (1.255 g; 5 mM) was added to a solution of ethyl acetoacetate (0.655 g; 5 mM) in toluene (60 ml) containing para-toluenesulphonic acid (30 mg), and the mixture refluxed vigorously for 1 h with water separation (Dean and Stark apparatus). To the cooled solution was then added 1M sodium ethoxide in ethanol (6 ml) and the mixture refluxed for a further 2 h. The cooled solution was poured onto water, and the pH of the stirred mixture adjusted to 7 using 5M hydrochloric acid. The toluene layer was then separated, and the aqueous phase re-extracted with toluene. The combined organic phase was washed with brine, dried and evaporated to give a brown oil (1.5 g). Crystallisation from ethanol afforded the title compound as off-white needles (0.8 g; 44%), m.p. 145.5° -147°.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US04952584 |
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| Source dataset | uspto-grants-1990_08 |
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| ORD ID | ord-b7e3cef5087740eea4ade781d9358905 |
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| Source note | uspto-grants-1990_08 |
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