Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Triethylamine | HCID 8471 | — |
| Reactant | 2-Propanesulfonyl chloride | HCID 82408 | — |
| Reactant | HCID 58215751 | HCID 58215751 | — |
| Solvent | Dichloromethane | HCID 6344 | — |
| Product | Ammonium Hydroxide | HCID 14923 | 0.1% |
| Product | HCID 59534634 | HCID 59534634 | — |
Reaction Steps
A flask is charged with 2-(5-aminomethyl-pyridin-3-yl)-6-chloro-1-methyl-1H-indole-3-carbonitrile (0.075 g, 0.253 mmol) and dichloromethane (2 mL). Isopropylsulfonyl chloride (0.031 mL, 0.278 mmol) and triethylamine (0.071 mL, 0.506 mmol) are added and the reaction is stirred at room temperature overnight. The reaction mixture is concentrated in vacuo. The residue is purified by reverse phase HPLC with Xbridge Shield RP18 column and a 0.1% aqueous NH4OH in acetonitrile gradient to afford propane-2-sulfonic acid [5-(6-chloro-3-cyano-1-methyl-1H-indol-2-yl)-pyridin-3-ylmethyl]-amide as a solid. 1H NMR (400 MHz, MeOD) δ ppm 1.40 (d, J=6.8 Hz, 6H), 3.25-3.32 (m, 1H), 3.84 (s, 3H), 4.50 (s, 2H), 7.38 (dd, J=8.6, 1.8 Hz, 1H), 7.72 (d, J=8.6 Hz, 1H), 7.77 (d, J=1.5 Hz, 1H), 8.18 (t, J=2.0 Hz, 1H), 8.81 (t, J=1.9 Hz, 2H). HRMS (ESI) m/z 403.0997 [(M+H)+ Calcd for C19H20ClN4O2S: 403.0996].
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08030334B2 |
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| Source dataset | uspto-grants-2011_10 |
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| ORD ID | ord-6de80b46519045ccaf441cf7e960d5fe |
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| Source note | uspto-grants-2011_10 |
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