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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1064246Generated: October 27, 2026

Triphenylphosphine → [2-(5-Methyl-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-6-yloxy)-ethyl]-carbamic acid tert-butyl ester

https://huagongshe.com/reaction/1064246

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTriphenylphosphineHCID 11776—
Reactantethyl N-ethoxycarbonyliminocarbamateHCID 220568—
Reactanttert-butyl N-(2-hydroxyethyl)carbamateHCID 2733206—
Reactant5-Methyl-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-6-olHCID 21945873—
SolventTetrahydrofuranHCID 8028—
Product[2-(5-Methyl-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-6-yloxy)-ethyl]-carbamic acid tert-butyl esterHCID 67120311—

Reaction Conditions

Temperature0 °C

Reaction Steps

A 25 mL flask was charged with 5-methyl-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-6-ol (450 mg, 1.87 mmol, WO 0071129), (2-hydroxyethyl)-carbamic acid tert-butyl ester (577 μL, 3.73 mmol), tetrahydrofuran (9.3 mL) and cooled to 0° C. Triphenylphosphine (978 mg, 3.73 mmol), diethyl azodicarboxylate (310 μL, 1.96 mmol) were then added. The mixture was stirred at 23° C. for 15 h then concentrated in vacuo. The crude material was purified by flash chromatography eluting with a mixture of 20% ethyl acetate in hexane to give [2-(5-methyl-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-6-yloxy)-ethyl]-carbamic acid tert-butyl ester. 1H NMR (400 MHz, DMSO-d6) δ 8.98 (1H, s), 7.93 (1H, s), 7.89 (1H, s), 7.46 (2H, t, J=4.5 Hz), 7.30 (2H, d, J=8.4 Hz), 7.04 (1H, t, J=5.6 Hz), 4.05-3.98 (4H, m), 2.36 (3H, s), 1.38 (9H, s). LCMS; m/z 385 (M+H+). B. The procedure described in Step A of Example 7 was applied starting with (865 mg, 2.25 mmol) of [2-(5-methyl-4-phenoxypyrrolo[2,1-f][1,2,4]triazin-6-yloxy)-ethyl]-carbamic acid tert-butyl ester to afford [2-(5-methyl-4-methylsulfanyl-pyrrolo[2,1-f][1,2,4]triazin-6-yloxy)-ethyl]-carbamic acid tert-butyl ester (652.7 mg, 86%). 1H NMR (400 MHz, DMSO-d6) δ 8.98 (1H, s), 8.17 (1H, s), 7.79 (1H, s), 7.02 (1H, t, J=5.6 Hz), 4.02 (2H, q, J=7.3 Hz), 3.96 (2H, t, J=5.6 Hz), 2.59 (3H, s), 2.35 (3H, s), 1.37 (9H, s). LCMS; m/z 339 (M+H+). C. The procedure described in Example 7 was employed starting with (100 mg, 0.30 mmol) of [2-(5-methyl-4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy)-ethyl]-carbamic acid tert-butyl ester to afford {2-[4-(4-Fluoro-1H-pyrrolo[2,3-b]pyridin-5-yloxy)-5-methyl-pyrrolo[2,1-f][1,2,4]triazin-6-yloxy]-ethyl}-carbamic acid tert-butyl ester (42 mg,73%). 1H NMR (400 MHz, DMSO-d6) δ 12.17 (1H, s), 8.31 (1H, d, J=9.3 Hz), 7.96 (1H, s), 7.94 (1H, s), 7.62 (1H, s), 7.05 (1H, m), 6.60 (1H, s), 4.02 (2H, m), 3.32 (2H, m), 2.40 (3H, s), 1.38 (9H, s). LCMS; m/z 443 (M+H+). D. To a solution of {2-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy]-ethyl}-carbamic acid tert-butyl ester (30 mg, 0.068 mmol) in dichloromethane (1.4 mL) was added the trifluoroacetic acid (0.14 mL) at RT. After 160 min, the mixture was concentrated and the residue was purified by preparative HPLC and, after concentration, the hydrochloride salt was made using a 1N aqueous solution of HCl in acetonitrile and the salt was lyophilized to afford of 2-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy]-ethylamine (14.1 mg, 53%) as a white lyophilate. 1H NMR (400 MHz, DMSO-d6) δ 12.19 (1H, s), 8.31 (1H, d, J=9.6 Hz), 8.13 (3H, broad s), 8.05 (1H, s), 7.97 (1H, s), 7.62 (1H, t, J=3.0 Hz), 6.59 (1H, dd, J=1.8, 3.5 Hz), 4.24 (2H, t, J=4.8 Hz), 3.26 (2H, q, J=5.3 Hz), 2.47 (3H, s). LCMS; m/z 343 (M+H+). HRMS calculated for C16H15FN6O2: 343.1318, found: 343.1309.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS06969717B2
Source datasetuspto-grants-2005_11
ORD IDord-bb159a6d889f45a49ff0826e6792be1d
Source noteuspto-grants-2005_11