Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 551968생성일: 2026년 10월 25일
Ethyl 2-formylcyclopropanecarboxylate → Methyl 5-({4-[(4-butylphenyl)ethynyl]benzyl}{[2-(ethoxycarbonyl)cyclopropyl]methyl}amino)-2-fluorobenzoate
https://huagongshe.com/reaction/551968
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|
| 반응물 | Ethyl 2-formylcyclopropanecarboxylate | HCID 89334 | — |
| 반응물 | Sodium Bicarbonate | HCID 516892 | — |
| 반응물 | Triacetoxyborohydride | HCID 2724942 | — |
| 반응물 | Methyl 5-({4-[(4-butylphenyl)ethynyl]benzyl}amino)-2-fluorobenzoate | HCID 11452740 | — |
| 용매 | 1,2-Dichloroethane | HCID 11 | — |
| 생성물 | Methyl 5-({4-[(4-butylphenyl)ethynyl]benzyl}{[2-(ethoxycarbonyl)cyclopropyl]methyl}amino)-2-fluorobenzoate | HCID 57554524 | 65% |
반응 단계
To solution of methyl 5-({4-[(4-butylphenyl)ethynyl]benzyl}amino)-2-fluorobenzoate (500 mg; 1.20 mmol) in anhydrous DCE (30 mL) were added ethyl-2-formyl-1-cyclopropanecarboxylate (Aldrich, 0.40 mL; 3.01 mmol), triacetoxyborohydride (382 mg; 1.81 mmol).The resulting mixture was stirred at 50° C. under N2 atmosphere for 4 hours. The mixture was poured into a saturated solution of NaHCO3 (50 mL) and extracted with DCM (2×50 mL). The combined organic layers were washed with brine (100 mL), dried over magnesium sulfate, filtrated and the solvents were removed under reduced pressure to give 872 mg. Purification of this crude by flash chromatography on silicagel (c-Hex/EtOAc, gradient 95:5 to 90:10) gave 340 mg (65%) of the title compound as a yellow oil. HPLC, Rt: 6.06 min (purity=96.2%). LC/MS, M+(ESI): 542.3. 1H NMR (CDCl3) δ: 7.43 (t, J=8.5 Hz, 4H), 7.32 (m, 1H), 7.22 (d, J=7.9 Hz, 2H), 7.15 (d, J=7.9 Hz, 2H), 6.93 (m, 2H), 4.54 (s, 2H), 4.08 (m, 2H), 3.89 (s, 3H), 3.35 (m, 2H), 2.61 (t, J=7.5 Hz, 2H), 1.32-1.58 (m, 7H), 1.24 (t, J=7.0 Hz, 3H), 0.92 (t, J=7.3 Hz, 3H), 0.88 (m, 1H).
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| 특허 번호 | US07947851B2 |
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| 출처 데이터셋 | uspto-grants-2011_05 |
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| ORD ID | ord-7edda0d8f6b84f76a63ee1578a022afe |
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| 출처 메모 | uspto-grants-2011_05 |
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