反应 #4076800
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-913456943a13487bbdcdfac7be7628e8暂无可渲染的结构数据
CCOC(=O)C=C(C)C(F)(F)F中间体产品
ethyl 4,4,4-trifluoro-3-methylbut-2-enoate
结构、标识符和计算性质已按 CAS 与数据库记录完成匹配。
| 中文名称 | 2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, ethyl ester, (E)- |
|---|---|
| English name | ethyl 4,4,4-trifluoro-3-methylbut-2-enoate |
| IUPAC 名称 | — |
| CAS号 | 691-77-0 |
| 数据库编号 | 342470 |
| 分子式 | — |
| 分子量 | — |
产品信息
2-Butenoic acid, 4,4,4-trifluoro-3-methyl-, ethyl ester, (E)-(CAS 691-77-0)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。
可能的应用方向
仅供专业研发与工业用途
数据库编号 342470
安全提示
仅供专业研发与工业用途。操作前请依据供应商提供的安全数据表完成风险评估。
合成路线数据
8 条反应 · 8 篇文献
反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-913456943a13487bbdcdfac7be7628e8反应条件: temp:80.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: (300 mg, 1.65 mmol) 4,4,4-Trifluoro-3-methyl-but-2-enoic acid ethyl ester (CAS 24490-03-7) was dissolved in ethanol (3 ml) and hydrazine monohydrate 64% in ethanol (0.13 ml, 1.73 mmol, 1.05 equiv.) was added at room temperature and stirred in a sealed tube for 16 hours at 80° C. The reaction mixture was evaporated to dryness. The desired (RS)-5-methyl-5-trifluoromethyl-pyrazolidin-3-one (280 mg, quant.) was obtained as a white solid, MS: m/e=169.2 (M+H+). The reaction mixture was evaporated to dryness
来源 ID: ord-63b613c9e5434d1e91a16e0665d8827c反应条件: temp:80.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: (300 mg, 1.65 mmol) 4,4,4-Trifluoro-3-methyl-but-2-enoic acid ethyl ester (CAS 24490-03-7) was dissolved in ethanol (3 ml) and hydrazine monohydrate 64% in ethanol (0.13 ml, 1.73 mmol, 1.05 equiv.) was added at room temperature and stirred in a sealed tube for 16 hours at 80° C. The reaction mixture was evaporated to dryness. The desired (RS)-5-methyl-5-trifluoromethyl-pyrazolidin-3-one (280 mg, quant.) was obtained as a white solid, MS: m/e=169.2 (M+H+). The reaction mixture was evaporated to dryness
来源 ID: ord-63b613c9e5434d1e91a16e0665d8827c反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: To a solution of 4.5 g of ethyl 4,4,4-trifluoro-3-methyl-2-butenoate in 50 ml of tetrahydrofuran was added dropwise 48 ml of diisobutylaluminum hydride (1.02M solution in hexane) under ice-cooling. The reaction mixture was stirred at the same temperature for 2 hours. To the reaction mixture was added diluted sulfuric acid and then extracted with t-butyl methyl ether. The organic layer was dried over anhydrous magnesium sulfate, and then concentrated under reduced pressure to obtain crude 4,4,4-trifluoro-3-methyl-2-buten-1-ol. cooling extracted with t-butyl methyl ether The organic layer was dried over anhydrous magnesium sulfate concentrated under reduced pressure
来源 ID: ord-5cd26017bd1b418980424a307e553aab反应条件: temp:80.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: (300 mg, 1.65 mmol) 4,4,4-Trifluoro-3-methyl-but-2-enoic acid ethyl ester (CAS 24490-03-7) was dissolved in ethanol (3 ml) and hydrazine monohydrate 64% in ethanol (0.13 ml, 1.73 mmol, 1.05 equiv.) was added at room temperature and stirred in a sealed tube for 16 hours at 80° C. The reaction mixture was evaporated to dryness. The desired (RS)-5-methyl-5-trifluoromethyl-pyrazolidin-3-one (280 mg, quant.) was obtained as a white solid, MS: m/e=169.2 (M+H+). The reaction mixture was evaporated to dryness
来源 ID: ord-63b613c9e5434d1e91a16e0665d8827c反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-913456943a13487bbdcdfac7be7628e8反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: To a solution of 4.5 g of ethyl 4,4,4-trifluoro-3-methyl-2-butenoate in 50 ml of tetrahydrofuran was added dropwise 48 ml of diisobutylaluminum hydride (1.02M solution in hexane) under ice-cooling. The reaction mixture was stirred at the same temperature for 2 hours. To the reaction mixture was added diluted sulfuric acid and then extracted with t-butyl methyl ether. The organic layer was dried over anhydrous magnesium sulfate, and then concentrated under reduced pressure to obtain crude 4,4,4-trifluoro-3-methyl-2-buten-1-ol. cooling extracted with t-butyl methyl ether The organic layer was dried over anhydrous magnesium sulfate concentrated under reduced pressure
来源 ID: ord-5cd26017bd1b418980424a307e553aab反应条件: temp:80.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: (300 mg, 1.65 mmol) 4,4,4-Trifluoro-3-methyl-but-2-enoic acid ethyl ester (CAS 24490-03-7) was dissolved in ethanol (3 ml) and hydrazine monohydrate 64% in ethanol (0.13 ml, 1.73 mmol, 1.05 equiv.) was added at room temperature and stirred in a sealed tube for 16 hours at 80° C. The reaction mixture was evaporated to dryness. The desired (RS)-5-methyl-5-trifluoromethyl-pyrazolidin-3-one (280 mg, quant.) was obtained as a white solid, MS: m/e=169.2 (M+H+). The reaction mixture was evaporated to dryness
来源 ID: ord-63b613c9e5434d1e91a16e0665d8827cPubChem References
以下资料来自该化合物的公开数据库参考记录。
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