HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1256776Generated: October 25, 2026
1,2-Bis(chlorodimethylsilyl)ethane → 3-[6-(4-Chloro-benzylamino)-pyridazin-3-ylmethyl]-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester
https://huagongshe.com/reaction/1256776
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | 1,2-Bis(chlorodimethylsilyl)ethane | HCID 83552 | — |
| Reactant | tert-Butyl 3-(chloromethyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate | HCID 21463021 | — |
| Reactant | (6-Bromo-pyridazin-3-yl)-(4-chloro-benzyl)-amine | HCID 57619288 | — |
| Reactant | HCID 178418306 | HCID 178418306 | — |
| Reactant | Butyllithium | HCID 178418339 | — |
| Reactant | HCID 178418546 | HCID 178418546 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Solvent | Hexane | HCID 8058 | — |
| Product | 3-[6-(4-Chloro-benzylamino)-pyridazin-3-ylmethyl]-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester | HCID 57619248 | 23.8% |
Reaction Steps
To (6-bromo-pyridazin-3-yl)-(4-chloro-benzyl)-amine (522, 0.560 g, 1.88 mmol) in tetrahydrofuran (45.0 mL), under an atmosphere of nitrogen at −78° C., was added n-butyllithium (2.50 M in hexane, 0.760 mL) slowly. After 10 minutes, 1,2-bis-(chloro-dimethyl-silanyl)-ethane (0.201 g, 0.94 mmol) in tetrahydrofuran (5.0 mL) was added to the reaction. The reaction mixture was allowed to stir at room temperature for 3 hours. The reaction was cooled to −78° C., followed by addition of 1.70 M of tert-butyllithium in hexane (1.20 mL) slowly. The reaction was stirred for 20 minutes, followed by addition of a solution of CuCN.2LiCl (0.6 M in tetrahydrofuran, 3.00 mL) and 3-chloromethyl-pyrrolo[2,3-b]pyridine-1-carboxylic acid tert-butyl ester (512, 0.47 g, 1.8 mol) in tetrahydrofuran (10.0 mL). After 30 minutes, the reaction was allowed to warm to room temperature for 10 minutes. The reaction was poured into water and extracted with ethyl acetate. The organic layer was dried over anhydrous sodium sulfate and filtered. The filtrate was treated with trifluoroacetic acid (1.0 mL) dissolved in dichloromethane (10.0 mL) for 10 minutes. The reaction was concentrated, poured into aqueous potassium carbonate and extracted with ethyl acetate. The organic layer was dried over anhydrous sodium sulfate and filtered. The filtrate was concentrated and purified with silica gel column chromatography eluting with 60% ethyl acetate in hexane to give the desired compound (523, 0.10 g, 23.8%). MS (ESI) [M+H+]+=450.1.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08461169B2 |
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| Source dataset | uspto-grants-2013_06 |
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| ORD ID | ord-8156559404f14dd9865d291955209306 |
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| Source note | uspto-grants-2013_06 |
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