HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1796003Generated: October 31, 2026
Hydrochloric Acid → (+/-)-N-(3-Amino-propyl)-N-(3-benzyl-5-chloro-4-oxo-3,4-dihydro-pyrrolo[2,1-f][1,2,4]triazin-2-ylmethyl)-4-chloro-benzamide, hydrochloride salt
https://huagongshe.com/reaction/1796003
Participants
| Role | Name | HCID | Charge |
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| Reactant | Hydrochloric Acid | HCID 313 | — |
| Reactant | Triethylamine | HCID 8471 | — |
| Reactant | 4-Chlorobenzoyl chloride | HCID 8501 | — |
| Reactant | (+/-)-{3-[(3-Benzyl-5-chloro-4-oxo-3,4-dihydro-pyrrolo[2,1-f][1,2,4]triazin-2-ylmethyl)-amino]-propyl}-carbamic acid tert-butyl ester | HCID 69591865 | — |
| Solvent | Dichloromethane | HCID 6344 | — |
| Solvent | 1,4-Dioxane | HCID 31275 | — |
| Solvent | Acetonitrile--water (1/1) | HCID 18373917 | — |
| Product | (+/-)-N-(3-Amino-propyl)-N-(3-benzyl-5-chloro-4-oxo-3,4-dihydro-pyrrolo[2,1-f][1,2,4]triazin-2-ylmethyl)-4-chloro-benzamide, hydrochloride salt | HCID 131725701 | 102.4% |
Reaction Steps
To a solution of (±)-{3-[(3-benzyl-5-chloro-4-oxo-3,4-dihydro-pyrrolo[2,1-f][1,2,4]triazin-2-ylmethyl)-amino]-propyl}-carbamic acid tert-butyl ester (12 mg, 0.027 mmole) in methylene chloride (0.5 mL) at 0° C. was added Et3N (11 μL, 0.081 mmole) followed by 4-chlorobenzoyl chloride (10 mL, 0.081 mmol). After stirring at 0° C. for 1.5 h, the reaction was quenched with 10 mL of saturated NaHCO3 solution and extracted with EtOAc (3×20 mL). The pooled organic extracts were dried over anhydrous MgSO4 and concentrated in vacuo. Purification of the residue by flash column chromatography (SiO2, 2% MeOH/CHCl3) gave a residue which was immediately treated with 4 N HCl in dioxane (1 mL). The crude product was lyophilized with acetonitrile/water to give the title compound as a white powder (7.2 mg, 51%): MS (ESI+) 484 (M++H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07030118B2 |
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| Source dataset | uspto-grants-2006_04 |
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| ORD ID | ord-e71a63e325254b0eab1a61cd903161bf |
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| Source note | uspto-grants-2006_04 |
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