反应 #4145221
相关文献 (1)
openreactiondata ↗doi:10.1039/C8SC04228D
反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-725bbbacf47743a0834ad3255129b8a8暂无可渲染的结构数据
C1CCN2CCNCC2C1产品信息
1,4-二氮杂二环[4.4.0]癸烷(CAS 4430-75-5)的产品身份、结构标识及相关反应资料,供化学中间体检索、研发和采购评估使用。
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12 条反应 · 12 篇文献
反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-725bbbacf47743a0834ad3255129b8a8反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-ed544e74a5b4444fb2db5ab6604674fd反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-814b10f56681491e9fa694d3710849b5反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-9ecfed8b57704fe687cf335121e7b731反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-cab8ec31a55344a592ebe1f68ca2b778反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-0989d44e9aa44564b34c61067cc0a383反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: To 3-(chlorosulfonyl)benzoyl chloride (0.36 g 1.5 mmol) in anhydrous dichloromethane (50 mL) was added octahydro-1H-pyrido[1,2-a]pyrazine (0.21 g, 1.5 mmol) in dichloromethane (4 mL) slowly over 10 minutes at room temperature. Then sodium carbonate (0.32 g, 3 mmol) was added. The mixture was stirred at room temperature for 5 hours. Then 3-(trifluoromethyl)aniline (2.9 g, 18 mmol) was added. The mixture was stirred at room temperature for 5 days, then sodium carbonate (0.32 g, 3 mmol) and methanol (5 mL) were added, the mixture was stirred for 20 minutes, then filtered, and concentrated. The residue was purified by chromatography on silica gel (methanol/ethyl acetate=1:10) to give the titled compound: 1H NMR (400 MHz, DMSO-d6) δ ppm 1.00-1.27 (m, 3H), 1.42-2.10 (m, 7H), 2.70-3.40 (m, 4H), 4.25-4.40 (m, 1H), 7.40 (m, 3H), 7.50 (m, 1H), 7.70 (m, 3H), 7.85 (m, 1H), 10.80 (br s, 1H); MS (ESI) m/z 468 (M+H)+. The mixture was stirred at room temperature for 5 days the mixture was stirred for 20 minutes filtered concentrated The residue was purified by chromatography on silica gel (methanol/ethyl acetate=1:10)
来源 ID: ord-9a7d9a07375e4dc99dbcfb22c768854d反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: To 3-({[4-(trifluoromethyl)phenyl]amino}sulfonyl)benzoic acid (4.35 g, 12.6 mmol) and 2-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)-1,1,3,3-tetramethylisouronium hexafluorophosphate(V) (5.27 g, 13.9 mmol) in N,N-dimethylacetamide (30 mL) and 2-methyltetrahydrofuran (90 mL) was added 1,4-diazabicyclo[4.4.0]decane (2.47 g, 17.6 mmol). The reaction was stirred at ambient temperature for 2.5 hours, and then it was diluted with 2-methyltetrahydrofuran (57 mL). The organic solution was washed with 6% NaHCO3/6% NaCl (35 mL), and the aqueous layer was extracted with 2-methyltetrahydrofuran (50 mL). The organic layer was washed with 6% NaHCO3/6% NaCl (50 mL) and 1:1 saturated NaCl/water (6×50 mL), and then it was concentrated. The residue was concentrated from ethanol (2×50 mL) to give the title compound. The organic solution was washed with 6% NaHCO3/6% NaCl (35 mL) the aqueous layer was extracted with 2-methyltetrahydrofuran (50 mL) The organic layer was washed with 6% NaHCO3/6% NaCl (50 mL) and 1:1 saturated NaCl/water (6×50 mL) it was concentrated The residue was concentrated from ethanol (2×50 mL)
来源 ID: ord-4a929fede5b34f99a9f6d44c93e6d250反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: To 3-(chlorosulfonyl)benzoyl chloride (0.36 g 1.5 mmol) in anhydrous dichloromethane (50 mL) was added octahydro-1H-pyrido[1,2-a]pyrazine (0.21 g, 1.5 mmol) in dichloromethane (4 mL) slowly over 10 minutes at room temperature. Then sodium carbonate (0.32 g, 3 mmol) was added. The mixture was stirred at room temperature for 5 hours. Then 3-(trifluoromethyl)aniline (2.9 g, 18 mmol) was added. The mixture was stirred at room temperature for 5 days, then sodium carbonate (0.32 g, 3 mmol) and methanol (5 mL) were added, the mixture was stirred for 20 minutes, then filtered, and concentrated. The residue was purified by chromatography on silica gel (methanol/ethyl acetate=1:10) to give the titled compound: 1H NMR (400 MHz, DMSO-d6) δ ppm 1.00-1.27 (m, 3H), 1.42-2.10 (m, 7H), 2.70-3.40 (m, 4H), 4.25-4.40 (m, 1H), 7.40 (m, 3H), 7.50 (m, 1H), 7.70 (m, 3H), 7.85 (m, 1H), 10.80 (br s, 1H); MS (ESI) m/z 468 (M+H)+. The mixture was stirred at room temperature for 5 days the mixture was stirred for 20 minutes filtered concentrated The residue was purified by chromatography on silica gel (methanol/ethyl acetate=1:10)
来源 ID: ord-bd982559a8a54c43bdf7da275ecf6cd0反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: To 3-({[4-(trifluoromethyl)phenyl]amino}sulfonyl)benzoic acid (4.35 g, 12.6 mmol) and 2-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)-1,1,3,3-tetramethylisouronium hexafluorophosphate(V) (5.27 g, 13.9 mmol) in N,N-dimethylacetamide (30 mL) and 2-methyltetrahydrofuran (90 mL) was added 1,4-diazabicyclo[4.4.0]decane (2.47 g, 17.6 mmol). The reaction was stirred at ambient temperature for 2.5 hours, and then it was diluted with 2-methyltetrahydrofuran (57 mL). The organic solution was washed with 6% NaHCO3/6% NaCl (35 mL), and the aqueous layer was extracted with 2-methyltetrahydrofuran (50 mL). The organic layer was washed with 6% NaHCO3/6% NaCl (50 mL) and 1:1 saturated NaCl/water (6×50 mL), and then it was concentrated. The residue was concentrated from ethanol (2×50 mL) to give the title compound. The organic solution was washed with 6% NaHCO3/6% NaCl (35 mL) the aqueous layer was extracted with 2-methyltetrahydrofuran (50 mL) The organic layer was washed with 6% NaHCO3/6% NaCl (50 mL) and 1:1 saturated NaCl/water (6×50 mL) it was concentrated The residue was concentrated from ethanol (2×50 mL)
来源 ID: ord-5f29be97ee954137801b2172c6d53de7反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-725bbbacf47743a0834ad3255129b8a8反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-ed544e74a5b4444fb2db5ab6604674fdPubChem References
以下资料来自该化合物的公开数据库参考记录。
