反应 #4106916
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openreactiondata ↗doi:10.1039/C8SC04228D
反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-4a08360c46a143f08210b929a2db55ce暂无可渲染的结构数据
CCOC(=O)C1=CC=C(C=C1)CO产品信息
苯甲酸,4-(羟甲基)-,乙酯(CAS 15852-63-8)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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8 条反应 · 8 篇文献
反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-4a08360c46a143f08210b929a2db55ce反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: To a solution of 4-(3-adamantan-1-yl-ureido)butyric acid 822 (1.23 g, 0.83 mmol), DMAP (0.05 g, 0.42 mmol), and the above alcohol (0.15 g, 0.83 mmol) in methylene chloride (30 mL) was added EDCI (0.16 g, 0.83 mmol) at room temperature. After stirring for 12 h, the reaction mixture was washed with 1 N NaOH aqueous solution (15 mL) and water (30 mL), and the organic layer was dried over Na2SO4 and concentrated. Then the residue was purified by column chromatography on silica gel eluting hexane and ethyl acetate (5:1) to provide 849 (0.28 g, 75%) as a white solid: 1H NMR (CDCl3) 1.40 (3H, t, J=6.9 Hz), 1.66-1.68 (6H, m), 1.84 (2H, quint, J=6.9 Hz), 1.94-1.96 (6H, m), 2.05-2.07 (3H, m), 2.44 (2H, t, J=6.9 Hz), 3.17 (2H, q, J=6.9 Hz), 4.02 (1H, s), 4.17 (1H, s), 4.38 (2H, q, J=6.9 Hz), 5.17 (2H, s), 7.40 (2H, d, J=7.8 Hz), 8.00 (2H, d, J=7.8 Hz); LC-MS (ESI) m/z calcd for C25H34N2O5 [M+H]+ 443.25. found [M+H]+ 443.25; mp 96-99 C. Anal. (C25H34N2O5) C, H, N. the reaction mixture was washed with 1 N NaOH aqueous solution (15 mL) and water (30 mL) the organic layer was dried over Na2SO4 concentrated Then the residue was purified by column chromatography on silica gel eluting hexane and ethyl acetate (5:1)
来源 ID: ord-4a38f22b55604cb89a249b45021cfada反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-4a08360c46a143f08210b929a2db55ce反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: Ethyl p- hydroxymethylbenzoate (0.51 g, 2.8 mmol) was dissolved in ethylene diamine and heated on a steam bath overnight. The volume was reduced under a stream of nitrogen and the residue was chromatographed by preparative thin layer chromatography (silica, CHCl3 : MeOH:HOAc, 10:10:1) to yield the product as an oil (0.35 g, 49% yield). heated on a steam bath overnight the residue was chromatographed by preparative thin layer chromatography (silica, CHCl3 : MeOH:HOAc, 10:10:1)
来源 ID: ord-a191819783a74eb5b51fd002fccb8f73反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: To a solution of 4-(3-adamantan-1-yl-ureido)butyric acid 822 (1.23 g, 0.83 mmol), DMAP (0.05 g, 0.42 mmol), and the above alcohol (0.15 g, 0.83 mmol) in methylene chloride (30 mL) was added EDCI (0.16 g, 0.83 mmol) at room temperature. After stirring for 12 h, the reaction mixture was washed with 1 N NaOH aqueous solution (15 mL) and water (30 mL), and the organic layer was dried over Na2SO4 and concentrated. Then the residue was purified by column chromatography on silica gel eluting hexane and ethyl acetate (5:1) to provide 849 (0.28 g, 75%) as a white solid: 1H NMR (CDCl3) 1.40 (3H, t, J=6.9 Hz), 1.66-1.68 (6H, m), 1.84 (2H, quint, J=6.9 Hz), 1.94-1.96 (6H, m), 2.05-2.07 (3H, m), 2.44 (2H, t, J=6.9 Hz), 3.17 (2H, q, J=6.9 Hz), 4.02 (1H, s), 4.17 (1H, s), 4.38 (2H, q, J=6.9 Hz), 5.17 (2H, s), 7.40 (2H, d, J=7.8 Hz), 8.00 (2H, d, J=7.8 Hz); LC-MS (ESI) m/z calcd for C25H34N2O5 [M+H]+ 443.25, found [M+H]+ 443.25; mp 96-99 C. Anal. (C25H34N2O5) C, H, N. the reaction mixture was washed with 1 N NaOH aqueous solution (15 mL) and water (30 mL) the organic layer was dried over Na2SO4 concentrated Then the residue was purified by column chromatography on silica gel eluting hexane and ethyl acetate (5:1)
来源 ID: ord-1fbf349398e7475e98d3db8730fe2772反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: 24.1 g (0.277 mmol) of manganese dioxide are added with stirring and at room temperature to a solution of 2.5 g (13.9 mmol) of ethyl 4-(hydroxymethyl)benzoate in an n-hexane/carbon tetrachloride (50 ml : 30 ml) mixture. After half an hour of stirring, the reaction is complete. After filtration of the reaction medium and removal of the solvents under vacuum, 1.76 g of a yellow oil which gives a single spot in TLC are obtained. A crystallization in isopropyl ether yields a white solid. After filtration of the reaction medium and removal of the solvents under vacuum, 1.76 g of a yellow oil which gives a single spot in TLC are obtained A crystallization in isopropyl ether yields a white solid
来源 ID: ord-32048ce8316e457bb1c9fc001742ff4b反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: 4 g (26.3 mmol) of 4-(hydroxymethyl)benzoic acid in 1,000 ml of absolute ethanol are heated under reflux of the solvent for 15 hours in the presence of approximately 1 g of concentrated sulfuric acid. The ethyl alcohol is then evaporated off and the residue taken up with water. After extraction of the aqueous phase with 3×100 ml of ethyl ether, the organic phases are washed to neutrality with saturated sodium hydrogen carbonate solution. After removal of the solvent, 4.56 g of a yellow oil, which soon crystallizes, remains. The ethyl alcohol is then evaporated off After extraction of the aqueous phase with 3×100 ml of ethyl ether the organic phases are washed to neutrality with saturated sodium hydrogen carbonate solution After removal of the solvent, 4.56 g of a yellow oil, which soon crystallizes
来源 ID: ord-847f296432e94bd58988b2c7c83018ef反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: To a solution of 4-(3-adamantan-1-yl-ureido)butyric acid 822 (1.23 g, 0.83 mmol), DMAP (0.05 g, 0.42 mmol), and the above alcohol (0.15 g, 0.83 mmol) in methylene chloride (30 mL) was added EDCI (0.16 g, 0.83 mmol) at room temperature. After stirring for 12 h, the reaction mixture was washed with 1 N NaOH aqueous solution (15 mL) and water (30 mL), and the organic layer was dried over Na2SO4 and concentrated. Then the residue was purified by column chromatography on silica gel eluting hexane and ethyl acetate (5:1) to provide 849 (0.28 g, 75%) as a white solid: 1H NMR (CDCl3) 1.40 (3H, t, J=6.9 Hz), 1.66-1.68 (6H, m), 1.84 (2H, quint, J=6.9 Hz), 1.94-1.96 (6H, m), 2.05-2.07 (3H, m), 2.44 (2H, t, J=6.9 Hz), 3.17 (2H, q, J=6.9 Hz), 4.02 (1H, s), 4.17 (1H, s), 4.38 (2H, q, J=6.9 Hz), 5.17 (2H, s), 7.40 (2H, d, J=7.8 Hz), 8.00 (2H, d, J=7.8 Hz); LC-MS (ESI) m/z calcd for C25H34N2O5 [M+H]+ 443.25. found [M+H]+ 443.25; mp 96-99 C. Anal. (C25H34N2O5) C, H, N. the reaction mixture was washed with 1 N NaOH aqueous solution (15 mL) and water (30 mL) the organic layer was dried over Na2SO4 concentrated Then the residue was purified by column chromatography on silica gel eluting hexane and ethyl acetate (5:1)
来源 ID: ord-4a38f22b55604cb89a249b45021cfadaPubChem References
以下资料来自该化合物的公开数据库参考记录。
