双(4-甲基苄基)锌 | 100343-90-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 双(4-甲基苄基)锌
• 英文名称: bis(4-methylbenzyl)zinc
• CAS: 100343-90-6
• 化学式: C₁₆H₁₈Zn
• 分子量: 275.709
• InChiKey: QPQYUHGRZNHVCB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.09
• 重原子数：
  17.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  双(4-甲基苄基)锌 、 五氯化钽 以 正己烷 、 甲苯 为溶剂， 生成 三(4-甲基苄基)二氯化钽
  参考文献：
  名称：

  Crystal and molecular structure of penta(4-methylbenzyl)tantalum, [Ta(CH2C6H4-4Me)5]

  摘要：

  Reaction of the dichloride [TaCl2(CH2-C6H4-4Me)3] (1) (CH2-C6H4-4Me = 4-methylbenzyl) with the dialkylmagnesium compound [Mg(CH2-C6H4-4-Me)2] leads to the homoleptic 4-methylbenzyl compound [Ta(CH2-C6H4-4Me)5] (2). The solid state structure of 2 shows a distorted square-pyramidal geometry for the central TaC5 core. Four of the 4-methylbenzyl ligands are sigma-bound to the tantalum with Ta-CH2-C angles of 108.4(5)-125.7(5)-degrees, while the remaining ligand has an acute Ta-CH2-C angle of 90.4(5)-degrees. In solution all alkyl groups are equivalent by H-1 and C-13 NMR even at -60-degrees-C, indicating facile exchange of non-equivalent alkyl groups on the NMR time-scale.

  DOI：

  10.1016/s0277-5387(00)84612-4
• 作为产物：
  描述：

  4-甲基氯苄 、 zinc(II) chloride 在 magnesium 作用下， 以 乙醚 为溶剂， 以68%的产率得到双(4-甲基苄基)锌
  参考文献：
  名称：

  Crystal and molecular structure of penta(4-methylbenzyl)tantalum, [Ta(CH2C6H4-4Me)5]

  摘要：

  Reaction of the dichloride [TaCl2(CH2-C6H4-4Me)3] (1) (CH2-C6H4-4Me = 4-methylbenzyl) with the dialkylmagnesium compound [Mg(CH2-C6H4-4-Me)2] leads to the homoleptic 4-methylbenzyl compound [Ta(CH2-C6H4-4Me)5] (2). The solid state structure of 2 shows a distorted square-pyramidal geometry for the central TaC5 core. Four of the 4-methylbenzyl ligands are sigma-bound to the tantalum with Ta-CH2-C angles of 108.4(5)-125.7(5)-degrees, while the remaining ligand has an acute Ta-CH2-C angle of 90.4(5)-degrees. In solution all alkyl groups are equivalent by H-1 and C-13 NMR even at -60-degrees-C, indicating facile exchange of non-equivalent alkyl groups on the NMR time-scale.

  DOI：

  10.1016/s0277-5387(00)84612-4

文献信息

• Regioselective C–F Bond Transformations of Silyl Difluoroenolates
  作者：Ryohei Doi、Koki Kajiwara、Taiki Negoro、Kenta Koh、Sensuke Ogoshi

  DOI：10.1021/acs.orglett.3c02057

  日期：2023.7.28

  Herein, we report the development of a nickel-catalyzed cross-coupling reaction of silyl difluoroenolates with aryl zinc reagents via C–F bond cleavage. Treatment of a stoichiometric amount of Ni(0)/N-heterocyclic carbene (NHC) with silyl difluoroenolates in the presence of a lithium salt resulted in C–F bond cleavage to selectively afford the corresponding (Z)-alkenyl Ni complexes. On the basis of

  在此，我们报告了通过 C-F 键断裂，镍催化二氟烯醇甲硅烷基与芳基锌试剂发生交叉偶联反应的进展。在锂盐存在下，用甲硅烷基二氟烯醇化物处理化学计量的 Ni(0)/ N-杂环卡宾 (NHC)，导致 C-F 键断裂，选择性地提供相应的 ( Z )-烯基 Ni 配合物。根据观察结果，我们开发了一种催化交叉偶联反应，可选择性地产生氟烯醇盐的单一几何异构体。