暂无可渲染的结构数据
C1CCN(CC1)CC2=CC=C(C=C2)OCCCCl中间体产品
1-[[4-(3-chloropropoxy)phenyl]methyl]piperidine
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 | 1-[[4-(3-氯丙氧基)苯基]甲基]哌啶 |
|---|---|
| English name | 1-[[4-(3-chloropropoxy)phenyl]methyl]piperidine |
| IUPAC 名称 | — |
| CAS号 | 398474-02-7 |
| 数据库编号 | 4365932 |
| 分子式 | — |
| 分子量 | — |
产品信息
1-[[4-(3-氯丙氧基)苯基]甲基]哌啶（CAS 398474-02-7）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
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数据库编号 4365932
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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-bae98982ce684a879855487bb40123c8反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-8d8e317fa924412e864d578f53e56075反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-bae98982ce684a879855487bb40123c8反应条件: temp:0.00; pressure:0.00; stir:
来源 ID: ord-8d8e317fa924412e864d578f53e56075反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A solution of the product of Example 12(6.13 g), piperidine (3.0 mL), sodium carbonate (3.6 g), and potassium iodide (190 mg) in n-butanol (50 mL) was heated to 105° C. for 21 h, cooled to RT, and treated with water (50 mL). The resulting mixture was extracted with DCM (4×50 mL), and the combined organic phases were dried (magnesium sulfate) and evaporated. Chromatography of the residue (5% 2M methanolic ammonia/methanol) gave the title compound as a waxy solid (3.2 g). 1H NMR (400 MHz, CDCl3): 7.19 (d, J=8.6 Hz, 2H), 6.83 (d, J=8.8 Hz, 2H), 3.97 (t, J=6.5 Hz, 2H), 3.4 (s, 2H), 2.48–2.31 (m, 10H), 2.00–1.92 (m, 2H), 1.62–1.52 (m, 8H), 1.47–1.38 (m, 4H). The resulting mixture was extracted with DCM (4×50 mL) the combined organic phases were dried (magnesium sulfate) evaporated
来源 ID: ord-3a166e6669354db68eb473cdcd487f28反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A solution of the product of Example 12(6.13 g), piperidine (3.0 mL), sodium carbonate (3.6 g), and potassium iodide (190 mg) in n-butanol (50 mL) was heated to 105° C. for 21 h, cooled to RT, and treated with water (50 mL). The resulting mixture was extracted with DCM (4×50 mL), and the combined organic phases were dried (magnesium sulfate) and evaporated. Chromatography of the residue (5% 2M methanolic ammonia/methanol) gave the title compound as a waxy solid (3.2 g). 1H NMR (400 MHz, CDCl3): 7.19 (d, J=8.6 Hz, 2H), 6.83 (d, J=8.8 Hz, 2H), 3.97 (t, J=6.5 Hz, 2H), 3.4 (s, 2H), 2.48–2.31 (m, 10H), 2.00–1.92 (m, 2H), 1.62–1.52 (m, 8H), 1.47–1.38 (m, 4H). The resulting mixture was extracted with DCM (4×50 mL) the combined organic phases were dried (magnesium sulfate) evaporated
来源 ID: ord-3a166e6669354db68eb473cdcd487f28反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A solution of the product of Example 11 (5.0 g), piperidine (3.1 mL), and acetic acid (2.0 mL) in DCE (100 mL) was treated with sodium triacetoxyborohydride (9.3 g). After 16 h, the resulting mixture was diluted with water (100 mL) and extracted with DCM (3×50 mL). The combined organic phases were dried (magnesium sulfate) and evaporated, giving the title compound as an amber oil (5.3 g). extracted with DCM (3×50 mL) The combined organic phases were dried (magnesium sulfate) evaporated
来源 ID: ord-d3819a0f4ecc4f77837417e325b4ef5c反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A solution of the product of Example 12 (6.13 g), piperidine (3.0 mL), sodium carbonate (3.6 g), and potassium iodide (190 mg) in n-butanol (50 mL) was heated to 105° C. for 21 h, cooled to RT, and treated with water (50 mL). The resulting mixture was extracted with DCM (4×50 mL), and the combined organic phases were dried (magnesium sulfate) and evaporated. Chromatography of the residue (5% 2M methanolic ammonia/methanol) gave the title compound as a waxy solid (3.2 g). 1H NMR (400 MHz, CDCl3): 7.19 (d, J=8.6 Hz, 2H), 6.83 (d, J=8.8 Hz, 2H), 3.97 (t, J=6.5 Hz, 2H), 3.4 (s, 2H), 2.48-2.31 (m, 10H), 2.00-1.92 (m, 2H), 1.62-1.52 (m, 8H), 1.47-1.38 (m, 4H). The resulting mixture was extracted with DCM (4×50 mL) the combined organic phases were dried (magnesium sulfate) evaporated
来源 ID: ord-a08c5bdb0a6f4983863ec5dec4cade4b反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A solution of the product of Example 11 (5.0 g), piperidine (3.1 mL), and acetic acid (2.0 mL) in DCE (100 mL) was treated with sodium triacetoxyborohydride (9.3 g). After 16 h, the resulting mixture was diluted with water (100 mL) and extracted with DCM (3×50 mL). The combined organic phases were dried (magnesium sulfate) and evaporated, giving the title compound as an amber oil (5.3 g). extracted with DCM (3×50 mL) The combined organic phases were dried (magnesium sulfate) evaporated
来源 ID: ord-0f6a1b78e90f4fbab30ad09c9eb5890a反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A solution of the product of Example 12 (6.13 g), piperidine (3.0 mL), sodium carbonate (3.6 g), and potassium iodide (190 mg) in n-butanol (50 mL) was heated to 105° C. for 21 h, cooled to RT, and treated with water (50 mL). The resulting mixture was extracted with DCM (4×50 mL), and the combined organic phases were dried (magnesium sulfate) and evaporated. Chromatography of the residue (5% 2M methanolic ammonia/methanol) gave the title compound as a waxy solid (3.2 g). 1H NMR (400 MHz, CDCl3): 7.19 (d, J=8.6 Hz, 2H), 6.83 (d, J=8.8 Hz, 2H), 3.97 (t, J=6.5 Hz, 2H), 3.4 (s, 2H), 2.48-2.31 (m, 10H), 2.00-1.92 (m, 2H), 1.62-1.52 (m, 8H), 1.47-1.38 (m, 4H). The resulting mixture was extracted with DCM (4×50 mL) the combined organic phases were dried (magnesium sulfate) evaporated
来源 ID: ord-a08c5bdb0a6f4983863ec5dec4cade4b反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A solution of the product of Example 11 (5.0 g), piperidine (3.1 mL), and acetic acid (2.0 mL) in DCE (100 mL) was treated with sodium triacetoxyborohydride (9.3 g). After 16 h, the resulting mixture was diluted with water (100 mL) and extracted with DCM (3×50 mL). The combined organic phases were dried (magnesium sulfate) and evaporated, giving the title compound as an amber oil (5.3 g). extracted with DCM (3×50 mL) The combined organic phases were dried (magnesium sulfate) evaporated
来源 ID: ord-0f6a1b78e90f4fbab30ad09c9eb5890a反应条件: temp:0.00; pressure:0.00; stir:; See reaction.notes.procedure_details.
实验步骤: A solution of the product of Example 12(6.13 g), piperidine (3.0 mL), sodium carbonate (3.6 g), and potassium iodide (190 mg) in n-butanol (50 mL) was heated to 105° C. for 21 h, cooled to RT, and treated with water (50 mL). The resulting mixture was extracted with DCM (4×50 mL), and the combined organic phases were dried (magnesium sulfate) and evaporated. Chromatography of the residue (5% 2M methanolic ammonia/methanol) gave the title compound as a waxy solid (3.2 g). 1H NMR (400 MHz, CDCl3): 7.19 (d, J=8.6 Hz, 2H), 6.83 (d, J=8.8 Hz, 2H), 3.97 (t, J=6.5 Hz, 2H), 3.4 (s, 2H), 2.48–2.31 (m, 10H), 2.00–1.92 (m, 2H), 1.62–1.52 (m, 8H), 1.47–1.38 (m, 4H). The resulting mixture was extracted with DCM (4×50 mL) the combined organic phases were dried (magnesium sulfate) evaporated
来源 ID: ord-3a166e6669354db68eb473cdcd487f28PubChem References
以下资料来自该化合物的公开数据库参考记录。