(2E,4Z)-ethyl 5-(benzo[b]thiophen-3-yl)-5-(dimethylcarbamoyloxy)-3-(prop-1-en-2-yl)penta-2,4-dienoate | 1527477-76-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: (2E,4Z)-ethyl 5-(benzo[b]thiophen-3-yl)-5-(dimethylcarbamoyloxy)-3-(prop-1-en-2-yl)penta-2,4-dienoate
• 英文别名: ethyl (2E,4Z)-5-(1-benzothiophen-3-yl)-5-(dimethylcarbamoyloxy)-3-prop-1-en-2-ylpenta-2,4-dienoate
• CAS: 1527477-76-4
• 化学式: C₂₁H₂₃NO₄S
• 分子量: 385.484
• InChiKey: QOZNXYAKHUCHDH-XIMUYODMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  84.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-乙酰硫茚 在 四氢吡喃 、 silver hexafluoroantimonate 、 dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer 、 copper diacetate 、 sodium hydride 、 二甲基亚砜 作用下， 反应 24.25h， 生成 (2E,4Z)-ethyl 5-(benzo[b]thiophen-3-yl)-5-(dimethylcarbamoyloxy)-3-(prop-1-en-2-yl)penta-2,4-dienoate
  参考文献：
  名称：

  Rh(III)-Catalyzed C–H Activation with Allenes To Synthesize Conjugated Olefins

  摘要：

  Rh-III-catalyzed C-H activation with allenes produces highly unsaturated conjugated olefins. The reaction is applicable to both olefin and arene C(sp(2))-H and is compatible with a variety of functional groups. The products can be further transformed into other important skeletons through Diels-Alder reaction and intramolecular transesterification.

  DOI：

  10.1021/ol403407q

文献信息

• Rh(III)-Catalyzed C–H Activation with Allenes To Synthesize Conjugated Olefins
  作者：Tian-Jun Gong、Wei Su、Zhao-Jing Liu、Wan-Min Cheng、Bin Xiao、Yao Fu

  DOI：10.1021/ol403407q

  日期：2014.1.17

  Rh-III-catalyzed C-H activation with allenes produces highly unsaturated conjugated olefins. The reaction is applicable to both olefin and arene C(sp(2))-H and is compatible with a variety of functional groups. The products can be further transformed into other important skeletons through Diels-Alder reaction and intramolecular transesterification.