反应 #4164635
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-74699e0923ea443a81fa636d770fda04暂无可渲染的结构数据
CC1(OCC(O1)CN)C中间体产品
(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine
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 | (2,2-二甲基-[1,3]-二氧杂环戊烷-4-基)-甲胺 |
|---|---|
| English name | (2,2-dimethyl-1,3-dioxolan-4-yl)methanamine |
| IUPAC 名称 | — |
| CAS号 | 22195-47-7 |
| 数据库编号 | 4122349 |
| 分子式 | — |
| 分子量 | — |
产品信息
(2,2-二甲基-[1,3]-二氧杂环戊烷-4-基)-甲胺(CAS 22195-47-7)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 4122349
安全提示
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合成路线数据
12 条反应 · 12 篇文献
反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-74699e0923ea443a81fa636d770fda04反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-c92a002cf7094fb8a6ab05e6e074a5a6反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-5a38f25e7169481da83d3e7741ab7158反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-02175582dc394c9cb88a5f0306dc3a5c反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-d8e96dc981ed4be186142280e8dd42c0反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-28c6a13bbd2f4b14a37bc78b12abd553反应条件: temp:0.01; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: The solution from 2-acetoxybenzoic acid (216 mg, 1.2 mmol) in dichloromethane (4 ml) is treated with triethylamine (0.15 ml, 1.2 mmol), cooled to 0° C., treated dropwise with ethyl chloroformate (0.144 ml, 1.0 mmol), stirred at 0° C. for 2 h and filtered. The filtrate is added at room temperature to a solution of 2,2-dimethyl-4-aminomethyl-1,3-dioxolane (293 mg, 1.0 mmol) and triethylamine (0.14 ml) in dichloromethane (4 ml). After 4 h, water (10 ml) is added and the mixture is stirred. The organic phase is washed with dilute hydrochloric acid, saturated aqueous sodium hydrogencarbonate solution and water, dried over magnesium sulphate and concentrated. The residue is purified by column chromatography on silica gel 60 (gradient hexane/ethyl acetate=3/1→1/1). Yield: 143 mg. filtered After 4 h the mixture is stirred The organic phase is washed with dilute hydrochloric acid, saturated aqueous sodium hydrogencarbonate solution and water dried over magnesium sulphate concentrated The residue is purified by column chromatography on silica gel 60 (gradient hexane/ethyl acetate=3/1→1/1)
来源 ID: ord-064ea014797745dd91de2ff86659b7de反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-74699e0923ea443a81fa636d770fda04反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: Under agitation, cooling between -5° and 0° C., and covering with argon, 68.94 g (175 mmol) of 3,5-dibromo-2,2,6,6-tetramethylpiperidin-4-one hydrobromide is added in portions to a solution of 22.93 g (175 mmol) of (2,2-dimethyl-1,3-dioxolan-4-yl)methylamine and 58.9 g (525 mmol) of potassium tert-butylate in 700 ml of isopropanol. A white paste is thus obtained which is stirred for one hour without cooling, suctioned off from the solid matter, and concentrated to dryness under vacuum. The residue is distributed between dichloromethane and water. The organic phase is dried over sodium sulfate and concentrated to dryness under vacuum. The residue is crystallized. After recrystallization from pentane, 30.1 g (60.9% of theory) of 2,2,5,5-tetramethyl-3-pyrroline-3-carboxylic acid (2,2-dimethyl-1,3-dioxolan-4-ylmethyl)amine is obtained, mp 55°-57° C. Under agitation, cooling between -5° and 0° C. A white paste is thus obtained which without cooling concentrated to dryness under vacuum The organic phase is dried over sodium sulfate concentrated to dryness under vacuum The residue is crystallized After recrystallization from pentane
来源 ID: ord-00ef50d6cb9b45af970a7312858a4dcb反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A solution of 10-chloro-2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydroimidazo[1,2-d]pyrido[4,3-f][1,4]oxazepine (90.0 mg, 0.272 mmol), (2,2-dimethyl-1,3-dioxolan-4-yl)methanamine (0.0353 mL, 0.272 mmol), Palladium Acetate (6.11 mg, 0.0272 mmol), XPhos (13.0 mg, 0.0272 mmol), and Sodium-tert-butoxide (52.3 mg, 0.544 mmol) in 1,4-Dioxane (1.50 mL, 19.2 mmol) was heated in microwave at 115° C. for 20 min. The reaction was filtered thru celite then rinsed with EtOAc. The filtrate was washed water, brine. The organic layer was dried Na2SO4, concentrated to give intermediate N-((2,2-dimethyl-1,3-dioxolan-4-yl)methyl)-2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydroimidazo[1,2-d]pyrido[4,3-f][1,4]oxazepin-10-amine to which was added 4.00 M of Hydrogen chloride in dioxane (5.00 mL). The reaction was stirred 3 h. The reaction was concentrated and submitted HPLC purification to give 262. MS: (ESI+)=386.2. 1H NMR (500 MHz, DMSO) δ 7.99 (s, 1H), 7.92 (s, 1H), 7.85 (s, 1H), 7.44 (s, 1H), 6.36 (s, 1H), 5.86 (dt, J=13.2, 6.6 Hz, 1H), 4.78 (d, J=4.8 Hz, 1H), 4.61-4.46 (m, 3H), 4.46-4.33 (m, 2H), 3.64 (dd, J=11.4, 5.3 Hz, 1H), 3.47-3.34 (m, 3H), 3.21-3.10 (m, 1H), 1.49 (d, J=6.6 Hz, 6H) The reaction was filtered thru celite then rinsed with EtOAc The filtrate was washed water, brine concentrated
来源 ID: ord-65d822a21eed4884aba7592b16cf5715反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A solution of 10-chloro-2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydroimidazo[1,2-d]pyrido[4,3-f][1,4]oxazepine (90.0 mg, 0.272 mmol), (2,2-dimethyl-1,3-dioxolan-4-yl)methanamine (0.0353 mL, 0.272 mmol), Palladium Acetate (6.11 mg, 0.0272 mmol), XPhos (13.0 mg, 0.0272 mmol), and Sodium-tert-butoxide (52.3 mg, 0.544 mmol) in 1,4-Dioxane (1.50 mL, 19.2 mmol) was heated in microwave at 115° C. for 20 min. The reaction was filtered thru celite then rinsed with EtOAc. The filtrate was washed water, brine. The organic layer was dried Na2SO4, concentrated to give intermediate N-((2,2-dimethyl-1,3-dioxolan-4-yl)methyl)-2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydroimidazo[1,2-d]pyrido[4,3-f][1,4]oxazepin-10-amine to which was added 4.00 M of Hydrogen chloride in dioxane (5.00 mL). The reaction was stirred 3 h. The reaction was concentrated and submitted HPLC purification to give 262. MS: (ESI+)=386.2. 1H NMR (500 MHz, DMSO) δ 7.99 (s, 1H), 7.92 (s, 1H), 7.85 (s, 1H), 7.44 (s, 1H), 6.36 (s, 1H), 5.86 (dt, J=13.2, 6.6 Hz, 1H), 4.78 (d, J=4.8 Hz, 1H), 4.61-4.46 (m, 3H), 4.46-4.33 (m, 2H), 3.64 (dd, J=11.4, 5.3 Hz, 1H), 3.47-3.34 (m, 3H), 3.21-3.10 (m, 1H), 1.49 (d, J=6.6 Hz, 6H) The reaction was filtered thru celite then rinsed with EtOAc The filtrate was washed water, brine concentrated
来源 ID: ord-65d822a21eed4884aba7592b16cf5715反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A solution of 2,2-dimethyl-4-aminomethyl-1,3-dioxolane (10.0 g, 0.08 mol) and triethylamine (8.1 g, 11.1 mL, 0.08 mol) in 100 mL of N,N-dimethylformamide is cooled to 0 C. under argon atmosphere. Then β-trimethylsilylethanesulfonyl chloride (16.0 g, 0.08 mol) is added dropwise. The solution is allowed to reach 25 C. and is stirred for 15 hours. The solvents are removed under reduced pressure and the crude residue is partitioned between dichloromethane (100 mL) and 5% sodium bicarbonate solution (50 mL). The layers are separated and the organic layer is dried over anhydrous sodium sulfate and evaporated to give 2,2-dimethyl-4-[N-(β-trimethylsilylethanesulfonyl)-aminomethyl]-1,3-dioxolane. The solvents are removed under reduced pressure the crude residue is partitioned between dichloromethane (100 mL) and 5% sodium bicarbonate solution (50 mL) The layers are separated the organic layer is dried over anhydrous sodium sulfate evaporated
来源 ID: ord-4b2911baafe14fc485e2830d527b10aaPubChem References
以下资料来自该化合物的公开数据库参考记录。
