1,2,3,4-四庚基萘 | 1003853-53-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 1,2,3,4-四庚基萘
• 英文名称: 1,2,3,4-tetraheptylnaphthalene
• 英文别名: 1,2,3,4-tetra(n-heptyl)naphthalene
• CAS: 1003853-53-9
• 化学式: C₃₈H₆₄
• 分子量: 520.926
• InChiKey: NSJMDUYRVNDABZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.2
• 重原子数：
  38
• 可旋转键数：
  24
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  三苯基甲醇 、 8-十六炔 在 dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer copper diacetate 作用下， 以 邻二甲苯 为溶剂， 以63%的产率得到1,2,3,4-四庚基萘
  参考文献：
  名称：

  Rhodium-Catalyzed Oxidative Coupling of Triarylmethanols with Internal Alkynes via Successive C−H and C−C Bond Cleavages

  摘要：

  [GRAPHICS]The rhodium-catalyzed oxidative coupling of triarylmethanols with internal alkynes effectively proceeds in a 1:2 manner via cleavage of C-H and C-C bonds to produce the corresponding naphthalene derivatives. Addition of trior tetraphenylcyclopentadiene as a ligand is crucial for the reaction to occur efficiently.

  DOI：

  10.1021/jo7022087

文献信息

• Synthesis of Benzo-Fused Cyclic Compounds via Rhodium-Catalyzed Decarboxylative Coupling of Aromatic Carboxylic Acids with Alkynes
  作者：Tetsuya Satoh、Yasuhito Inai、Yoshinosuke Usuki

  DOI：10.1055/a-1416-6997

  日期：2021.9

  The decarboxylative coupling of diversely substituted benzoic acids with internal alkynes proceeds smoothly in the presence of a [RhCl(cod)]2/1,2,3,4-tetraphenyl-1,3-cyclopentadiene catalyst system to selectively produce highly substituted naphthalene derivatives. The catalyst system is applicable to constructing anthracene and benzo­[c]thiophene frameworks through reactions of naphthoic and thiophene-2-carboxylic

  在[RhCl（cod）] 2 / 1,2,3,4-四苯基-1,3-环戊二烯催化剂体系的存在下，不同取代的苯甲酸与内部炔烃的脱羧偶联可顺利进行，以选择性地生产高度取代的萘衍生物。该催化剂体系适用于分别通过萘和噻吩-2-羧酸的反应来构建蒽和苯并[c]噻吩骨架。
• Rhodium-Catalyzed Oxidative Coupling of Triarylmethanols with Internal Alkynes via Successive C−H and C−C Bond Cleavages
  作者：Toshihiko Uto、Masaki Shimizu、Kenji Ueura、Hayato Tsurugi、Tetsuya Satoh、Masahiro Miura

  DOI：10.1021/jo7022087

  日期：2008.1.1

  [GRAPHICS]The rhodium-catalyzed oxidative coupling of triarylmethanols with internal alkynes effectively proceeds in a 1:2 manner via cleavage of C-H and C-C bonds to produce the corresponding naphthalene derivatives. Addition of trior tetraphenylcyclopentadiene as a ligand is crucial for the reaction to occur efficiently.