3-(2-nitro-1-phenylethoxy)-1,5-hexadiene | 155858-85-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(2-nitro-1-phenylethoxy)-1,5-hexadiene
• 英文别名: (1-Hexa-1,5-dien-3-yloxy-2-nitroethyl)benzene
• CAS: 155858-85-8
• 化学式: C₁₄H₁₇NO₃
• 分子量: 247.294
• InChiKey: ZHIKJXQIFCZLHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(2-nitro-1-phenylethoxy)-1,5-hexadiene 生成 (3aS,4R,6S)-6-phenyl-4-prop-2-enyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole
  参考文献：
  名称：

  Kim Hyoung Rae, Kim Kyoung Mahn, Kim Jae Nyoung, Ryu Eung K., Synth. Commun, 24 (1994) N 8, S 1107-1116

  摘要：

  DOI：
• 作为产物：
  描述：

  1,5-己二烯醇 、 β-硝基苯乙烯 在 正丁基锂 作用下， 生成 3-(2-nitro-1-phenylethoxy)-1,5-hexadiene
  参考文献：
  名称：

  Regioselectivity and Stereoselectivity in the Intramolecular Nitrile Oxide-Olefin Cycloaddition (INOC) Reaction and the Intramolecular Silyl Nitronate-Olefin Cycloaddition (ISOC) Reaction

  摘要：

  Both INOC and ISOC reactions of 1 which has two different double bonds in a molecule (allylic and homoallylic double bond) showed high regioselectivity for allylic double bond to make [5,5] ring system. INOC reactions of 1 and 6 showed high diastereoselectivity for 4-substituents, whereas ISOC reaction did for 6-substituents of tetrahydrofuroisoxazolines.

  DOI：

  10.1080/00397919408011705

文献信息

• Regioselectivity and Stereoselectivity in the Intramolecular Nitrile Oxide-Olefin Cycloaddition (INOC) Reaction and the Intramolecular Silyl Nitronate-Olefin Cycloaddition (ISOC) Reaction
  作者：Hyoung Rae Kim、Kyoung Mahn Kim、Jae Nyoung Kim、Eung K. Ryu

  DOI：10.1080/00397919408011705

  日期：1994.4

  Both INOC and ISOC reactions of 1 which has two different double bonds in a molecule (allylic and homoallylic double bond) showed high regioselectivity for allylic double bond to make [5,5] ring system. INOC reactions of 1 and 6 showed high diastereoselectivity for 4-substituents, whereas ISOC reaction did for 6-substituents of tetrahydrofuroisoxazolines.
• Kim Hyoung Rae, Kim Kyoung Mahn, Kim Jae Nyoung, Ryu Eung K., Synth. Commun, 24 (1994) N 8, S 1107-1116
  作者：Kim Hyoung Rae, Kim Kyoung Mahn, Kim Jae Nyoung, Ryu Eung K.

  DOI：——

  日期：——