Dimethyl 2-methylidene-3-(1-nitro-3-phenylpropyl)butanedioate | 1218793-46-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Dimethyl 2-methylidene-3-(1-nitro-3-phenylpropyl)butanedioate
• 英文别名: dimethyl 2-methylidene-3-(1-nitro-3-phenylpropyl)butanedioate
• CAS: 1218793-46-4
• 化学式: C₁₆H₁₉NO₆
• 分子量: 321.33
• InChiKey: OICOFXOJFCFGNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  23
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  98.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Dimethyl 2-methylidene-3-(1-nitro-3-phenylpropyl)butanedioate 在 1% Pd/C 、 甲酸铵 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以58%的产率得到Methyl 4-methyl-5-oxo-2-(2-phenylethyl)pyrrolidine-3-carboxylate
  参考文献：
  名称：

  Chemoselective SN2′ reaction of nitroalkanes to dialkyl 2-(bromomethyl)fumarates under cetyltrimethylammonium hydroxide (CTAOH) catalysis

  摘要：

  The chemoselective S(N)2' reaction of a variety of primary nitroalkanes to dialkyl 2-(bromomethyl)fumarates can be efficiently performed under cetyltrimethylammonium hydroxide (CTAOH) catalysis. The alpha, beta-unsaturated esters were obtained in satisfactory to good yields with the complete retention of the nitro group. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.12.122
• 作为产物：
  描述：

  dimethyl (Z)-2-(bromomethyl)fumarate 、 1-硝基-3-苯基丙烷 在 十六烷基三甲基氢氧化铵 作用下， 以 水 为溶剂， 反应 6.0h， 以66%的产率得到Dimethyl 2-methylidene-3-(1-nitro-3-phenylpropyl)butanedioate
  参考文献：
  名称：

  Chemoselective SN2′ reaction of nitroalkanes to dialkyl 2-(bromomethyl)fumarates under cetyltrimethylammonium hydroxide (CTAOH) catalysis

  摘要：

  The chemoselective S(N)2' reaction of a variety of primary nitroalkanes to dialkyl 2-(bromomethyl)fumarates can be efficiently performed under cetyltrimethylammonium hydroxide (CTAOH) catalysis. The alpha, beta-unsaturated esters were obtained in satisfactory to good yields with the complete retention of the nitro group. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.12.122

文献信息

• Chemoselective SN2′ reaction of nitroalkanes to dialkyl 2-(bromomethyl)fumarates under cetyltrimethylammonium hydroxide (CTAOH) catalysis
  作者：Roberto Ballini、Serena Gabrielli、Alessandro Palmieri

  DOI：10.1016/j.tetlet.2009.12.122

  日期：2010.2

  The chemoselective S(N)2' reaction of a variety of primary nitroalkanes to dialkyl 2-(bromomethyl)fumarates can be efficiently performed under cetyltrimethylammonium hydroxide (CTAOH) catalysis. The alpha, beta-unsaturated esters were obtained in satisfactory to good yields with the complete retention of the nitro group. (C) 2009 Elsevier Ltd. All rights reserved.