[(triphenylphosphine)Zn(ethyl)(phenylacetylenide)]2 | 1334305-74-6

• 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: [(triphenylphosphine)Zn(ethyl)(phenylacetylenide)]2
• 英文别名: [(Ph3P)Zn(Et)(CCPh-κ2)]2；dizinc;ethane;ethynylbenzene;triphenylphosphane
• CAS: 1334305-74-6
• 化学式: C₅₆H₅₀P₂Zn₂
• 分子量: 915.741
• InChiKey: IDNUJWYAYCJAHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.81
• 重原子数：
  60
• 可旋转键数：
  8
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  四氢呋喃 、 [(triphenylphosphine)Zn(ethyl)(phenylacetylenide)]2 以 四氢呋喃 为溶剂， 生成 [(tetrahydrofuran)2Zn(phenylacetylenide)2]
  参考文献：
  名称：

  Synthesis of Phosphine-Ligated Zinc Acetylide Dimers: Enhanced Reactivity in Carbonyl Additions

  摘要：

  Phosphine-ligated dinuclear zinc acetylides effectively promote the alkynylation of carbonyl derivatives. Good to excellent yields (46-91%) of the corresponding propargylic alcohols were obtained from a wide range of substrates. Crystallographic evidence for a phosphine-zinc-acetylide dimer was obtained with bonding energies obtained by DFT calculations. Phosphine ligation in the carbon-carbon bond-forming event is further corroborated by the synthesis of an enantioenriched propargylic alcohol through the addition of chiral phosphines.

  DOI：

  10.1021/om200581f
• 作为产物：
  描述：

  (碘乙炔基)苯 、 diethylzinc 、 三苯基膦 以 二氯甲烷-D2 为溶剂， 生成 [(triphenylphosphine)Zn(ethyl)(phenylacetylenide)]2
  参考文献：
  名称：

  Synthesis of Phosphine-Ligated Zinc Acetylide Dimers: Enhanced Reactivity in Carbonyl Additions

  摘要：

  Phosphine-ligated dinuclear zinc acetylides effectively promote the alkynylation of carbonyl derivatives. Good to excellent yields (46-91%) of the corresponding propargylic alcohols were obtained from a wide range of substrates. Crystallographic evidence for a phosphine-zinc-acetylide dimer was obtained with bonding energies obtained by DFT calculations. Phosphine ligation in the carbon-carbon bond-forming event is further corroborated by the synthesis of an enantioenriched propargylic alcohol through the addition of chiral phosphines.

  DOI：

  10.1021/om200581f