Diethyl 5-[7-[2,2-bis(ethoxycarbonyl)-6-(hydroxymethyl)-1,3-dihydroinden-5-yl]-9,9-dibutylfluoren-2-yl]-6-(hydroxymethyl)-1,3-dihydroindene-2,2-dicarboxylate | 944458-51-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: Diethyl 5-[7-[2,2-bis(ethoxycarbonyl)-6-(hydroxymethyl)-1,3-dihydroinden-5-yl]-9,9-dibutylfluoren-2-yl]-6-(hydroxymethyl)-1,3-dihydroindene-2,2-dicarboxylate
• CAS: 944458-51-9
• 化学式: C₅₃H₆₂O₁₀
• 分子量: 859.069
• InChiKey: XFBTZGHYWXGVKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.7
• 重原子数：
  63
• 可旋转键数：
  22
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  146
• 氢给体数：
  2
• 氢受体数：
  10

文献信息

• PROCESS FOR PRODUCTION OF SUBSTITUTED BENZENE
  申请人：Okamoto Sentaro

  公开号：US20100168441A1

  公开（公告）日：2010-07-01

  Disclosed is a process for production of a substituted benzene, which comprises intramolecularly and/or intermolecularly trimerizing a triple bond in an alkyne in the presence of a transition metal catalyst to yield a substituted benzene compound. In the process, the transition metal catalyst is prepared from an iminomethylpyridine represented by the formula (1) or (2), a transition metal salt or a hydrate thereof, and a reducing agent in a reaction system and is used to perform the trimerization. The process can be used in any one of the intramolecular cyclization of a triyne compound, the cyclization of a diyne compound or an alkyne compound and the intermolecular cyclization of three molecules of an alkyne compound, is excellent in economic effectiveness and operability, and is practically advantageous. wherein R 1 and R 3 independently represent a linear or cyclic C 1 -C 20 aliphatic hydrocarbon group or the like; R 2 represents a hydrogen atom or the like; X represents a hydrogen atom, O or the like; and Y represents O, S or the like.

  揭示了一种生产取代苯的过程，包括在过渡金属催化剂存在下，使炔烃中的三键进行分子内和/或分子间三聚化，从而产生取代苯化合物。在该过程中，过渡金属催化剂由式（1）或（2）表示的亚甲基吡啶胺、过渡金属盐或其水合物以及还原剂在反应系统中制备，并用于进行三聚化反应。该过程可用于三炔化合物的分子内环化、双炔化合物或炔烃的环化，以及三分子炔烃的分子间环化，具有经济效益和操作性优越，并在实际中具有优势。其中，R1和R3独立表示线性或环状的C1-C20脂肪烃基或类似物；R2表示氢原子或类似物；X表示氢原子、氧或类似物；Y表示氧、硫或类似物。