[5-Isopropylidene-9-(4-nitro-phenyl)-nona-1,3,6,8-tetraynyl]-trimethyl-silane | 387868-82-8

• 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: [5-Isopropylidene-9-(4-nitro-phenyl)-nona-1,3,6,8-tetraynyl]-trimethyl-silane
• 英文别名: Trimethyl-[9-(4-nitrophenyl)-5-propan-2-ylidenenona-1,3,6,8-tetraynyl]silane；trimethyl-[9-(4-nitrophenyl)-5-propan-2-ylidenenona-1,3,6,8-tetraynyl]silane
• CAS: 387868-82-8
• 化学式: C₂₁H₁₉NO₂Si
• 分子量: 345.473
• InChiKey: JIMVMWPUVZJTGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.17
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  [5-Isopropylidene-9-(4-nitro-phenyl)-nona-1,3,6,8-tetraynyl]-trimethyl-silane 在 甲醇 、 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 生成 1-(5-Isopropylidene-nona-1,3,6,8-tetraynyl)-4-nitro-benzene
  参考文献：
  名称：

  The effects of π-acceptor and π-donor substitution in cross-conjugated enynes

  摘要：

  Donor (p-NMe2C6H4) and acceptor (p-NO2C6H4) substitution has been appended onto two different cross-conjugated enyne scaffolds and the electronic effects as a function of substitution have been evaluated. Interestingly, the observed electronic effects are quite dependent on the constitution of the enyne framework. In the case of tetraynes 2a-c, acceptor substituted 2b shows an additional low energy absorption in the UV-vis spectrum as compared to 2a and 2c. In contrast, little difference in the electronic characteristics of 4a-b is detected. The X-ray crystallographic analysis of 4a is also described. (C), 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01659-8
• 作为产物：
  描述：

  1-(对硝基苯基)-1,3-丁二炔 、 (2-Methyl-7-trimethylsilylhept-2-en-4,6-diyn-3-yl) trifluoromethanesulfonate 在 bis-triphenylphosphine-palladium(II) chloride 、 二异丙胺 作用下， 以 四氢呋喃 为溶剂， 以78%的产率得到[5-Isopropylidene-9-(4-nitro-phenyl)-nona-1,3,6,8-tetraynyl]-trimethyl-silane
  参考文献：
  名称：

  The effects of π-acceptor and π-donor substitution in cross-conjugated enynes

  摘要：

  Donor (p-NMe2C6H4) and acceptor (p-NO2C6H4) substitution has been appended onto two different cross-conjugated enyne scaffolds and the electronic effects as a function of substitution have been evaluated. Interestingly, the observed electronic effects are quite dependent on the constitution of the enyne framework. In the case of tetraynes 2a-c, acceptor substituted 2b shows an additional low energy absorption in the UV-vis spectrum as compared to 2a and 2c. In contrast, little difference in the electronic characteristics of 4a-b is detected. The X-ray crystallographic analysis of 4a is also described. (C), 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01659-8

文献信息

• The effects of π-acceptor and π-donor substitution in cross-conjugated enynes
  作者：Yuming Zhao、Sorin C Ciulei、Rik R Tykwinski

  DOI：10.1016/s0040-4039(01)01659-8

  日期：2001.10

  Donor (p-NMe2C6H4) and acceptor (p-NO2C6H4) substitution has been appended onto two different cross-conjugated enyne scaffolds and the electronic effects as a function of substitution have been evaluated. Interestingly, the observed electronic effects are quite dependent on the constitution of the enyne framework. In the case of tetraynes 2a-c, acceptor substituted 2b shows an additional low energy absorption in the UV-vis spectrum as compared to 2a and 2c. In contrast, little difference in the electronic characteristics of 4a-b is detected. The X-ray crystallographic analysis of 4a is also described. (C), 2001 Elsevier Science Ltd. All rights reserved.