HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,4-Dioxane hydrochloride → (+/-)-n-(3-Amino-propyl)-n-[(3-benzyl-5-chloro-4-oxo-3,4-dihydro-pyrrolo[2,1-f][1,2,4]triazin-2-yl)-cyclopropyl-methyl]-4-chloro-benzamide, hydrochloride salt
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 1,4-Dioxane hydrochloride | HCID 20443148 | — |
| Reactant | {3-[[(3-Benzyl-5-chloro-4-oxo-3,4-dihydro-pyrrolo[2,1-f][1,2,4]triazin-2-yl) cyclopropyl-methyl]-(4-chloro-benzoyl)-amino]-propyl}-carbamic acid tert-butyl ester | HCID 69591786 | — |
| Product | (+/-)-n-(3-Amino-propyl)-n-[(3-benzyl-5-chloro-4-oxo-3,4-dihydro-pyrrolo[2,1-f][1,2,4]triazin-2-yl)-cyclopropyl-methyl]-4-chloro-benzamide, hydrochloride salt | HCID 131725699 | 167% |
Reaction Steps
{3-[[(3-Benzyl-5-chloro-4-oxo-3,4-dihydro-pyrrolo[2,1-f][1,2,4]triazin-2-yl) cyclopropyl-methyl]-(4-chloro-benzoyl)-amino]-propyl}-carbamic acid tert-butyl ester (8 mg) was treated with 4 N HCl/dioxane (1 mL) and the resulting mixture stirred at room temperature for 18 h. The mixture was concentrated under high vacuum to give the title compound (6 mg) as a white solid: 1H NMR (DMSO-d6) δ −0.35 (m, 1H), 0.40 (m, 1H), 0.50 (m, 1H), 0.57 (m, 1H), 1.53 (m, 1H), 1.80 (m, 1H), 1.89 (m, 1H), 2.56 (m, 2H), 3.56 (m, 2H), 4.85 (m, 1H), 5.16 (m, 1H), 5.80 (m, 1H), 6.66 (m, 1H), 7.23 (bs, 3H), 7.25 (m, 2H), 7.30–7.40 (m, 4H), 7.46–7.49 (m, 3H), 7.56 (m, 1H), 7.99 (m, 1H); HRMS (ESI+) 524.1629 (M+H)+ for C27H28N5O2Cl2.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US07030118B2 |
| Source dataset | uspto-grants-2006_04 |
| ORD ID | ord-879adb1aebf246228afa4065dbe2c28a |
| Source note | uspto-grants-2006_04 |