2-Cyclopenten-1-one, 2,2'-(1,4-phenylene)bis[3-butyl- | 168213-46-5

• 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: 2-Cyclopenten-1-one, 2,2'-(1,4-phenylene)bis[3-butyl-
• 英文别名: 3-butyl-2-[4-(2-butyl-5-oxocyclopenten-1-yl)phenyl]cyclopent-2-en-1-one
• CAS: 168213-46-5
• 化学式: C₂₄H₃₀O₂
• 分子量: 350.501
• InChiKey: BGRFYYBMJIDASL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  一氧化碳 、 乙基溴化镁 、 1,4-di(hex-1-yn-1-yl)benzene 生成 2-Cyclopenten-1-one, 2,2'-(1,4-phenylene)bis[3-butyl-
  参考文献：
  名称：

  Convenient preparative method of α,β-disubstituted cyclopentenone by zirconium promoted intermolecular coupling of an alkyne, EtMgBr (or ethylene) and CO

  摘要：

  Treatment of Cp2ZrCl2 with 2 equiv of EtMgBr in THF, followed by addition of an internal alkyne and subsequent treatment with CO/I-2 gave alpha,beta-disubstituted cyclopentenone in good to high yields. When a conjugated enyne was used as an alkyne component, alpha-alkenyl cyclopentenone was selectively formed in 80-89% yields. In the case of 4,6-decadiyne, alpha-alkynylcyclopentenone was formed in 88% yield. Bridged alkynes such as 1,4-dihexynytbenzene afforded alpha alpha'-bridged cyclopentenone compounds in good yields. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00612-1

文献信息

• Reaction of Zirconocene Ethylene Complex with Diynes. Formation of Bridged Zirconacyclopentenes
  作者：Tamotsu Takahashi、Kayoko Kasai、Zhenfeng Xi、Victor Denisov

  DOI：10.1246/cl.1995.347

  日期：1995.5

  Reactions of diynes RCC-X-CCR with zirconocene ethylene complex Cp2Zr(CH2=CH2) were investigated. When X was C6H4 or C4H2S, bridged zirconacyclopentenes were selectively formed. They were easily converted into bridged cyclopentenone derivatives. In the case of (CH2)n groups as X, the reaction products were strongly dependent on the R group.

  研究了二炔类化合物 RCC-X-CCR 与二茂锆乙烯络合物 Cp2Zr(CH2= ) 的反应。当 X 为 C6H4 或 C4H2S 时，选择性地形成了桥接的锆环戊烯。它们很容易转化为桥式环戊烯酮衍生物。当 X 为 ( )n 基团时，反应产物在很大程度上取决于 R 基团。