zinc(η1-cyclopentadienyl)Et | 38282-37-0

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物
• 英文名称: zinc(η1-cyclopentadienyl)Et
• CAS: 38282-37-0
• 化学式: C₇H₁₀Zn
• 分子量: 159.546
• InChiKey: XLEXIQLVSDCJLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  1,4,8,11-四甲基-1,4,8,11-四氮环十四烷 、 zinc(η1-cyclopentadienyl)Et 以 氘代苯 为溶剂， 生成
  参考文献：
  名称：

  Coordination to RMg⁺ and RZn⁺ Cations¹

  摘要：

  Addition of a second coordinating agent (coord*) to a solution of RM(coord)(+)A(-) (R = ethyl or neopentyl, M = Zn or Mg, A(-) = 1,2,3,4-tetraphenylcyclopentadienyl) can provide equilibrium mixtures of these compounds, coord, and RM(coord*)(+)A(-). This exchange with RMg(coord)(+) requires the addition of a small amount of R2Mg, but added R2Zn is not necessary for exchanges with RZn(coord)(+). The equilibrium constants provide information about the relative abilities of different coordinating agents to coordinate to RM+ and reveal significant differences between coordination to RMg+ and RZn+. Reactions of RM(coord)(+) with R'M-2 (R = ethyl or neopentyl for RMg(coord)(+) and ethyl, isopropyl, tert-butyl, neopentyl, or p-methylphenyl for RZn(coord)(+)) provide equilibrium mixtures of these components, R'M-(coord)(+), and R2M. The equilibrium constants provide information about the effect of R on stability. An X-ray structure of p-methylphenylzinc(2,5,8,11-tetramethyl-2,5,8,11-tetraazadodecane)(+) shows that just three of the N atoms are coordinated to Zn. The effects of coord, R, and metal on RM(coord)(+) stability are discussed, and the abilities of coordinating agents to coordinate to RM+, to slow allylic isomerization of (CH2=CMeCH2)(2)Zn, and to convert R2Zn to RZn(coord)(+) are compared.

  DOI：

  10.1021/om000427e

文献信息

• X-Ray crystal structure of the ethylzinc enolate of 1-(2,4-cyclopentadienyl)-2-(diethylamino)-1-ethanone, the unexpected reaction product from cyclopentadienyl(ethyl)zinc and ethyl N,N-diethylglycinate
  作者：Johann T. B. H. Jastrzebski、Jaap Boersma、Gerard van Koten、Wilberth J. J. Smeets、Anthony L. Spek

  DOI：10.1002/recl.19881070330

  日期：——

  Reaction of cyclopentadienyl(ethyl)zinc with ethyl N,N-diethylglycinate affords the dimeric ethylzinc enolate (2) of 1-(2,4-cyclopentadienyl)-2-(diethylamino)-1-ethanone in quantitative yield. Its molecular structure was determined by X-ray crystallography. Crystals of 2 C26H42N2O2Zn2 are monoclinic, space group P21/c, with unit cell parameters a = 7.972(1) Å, b = 15.741(2) Å, c = 11.062(2) Å, β =

  环戊二烯基（乙基）锌与N，N-二乙基甘氨酸乙酯的反应以定量收率得到1-（2,4-环戊二烯基）-2-（二乙基氨基）-1-乙酮的二聚烯醇烯酸乙酯（2）。通过X射线晶体学测定其分子结构。的晶体2 Ç 26 ħ 42 Ñ 2 ö 2的Zn 2是单斜晶系，空间群P 2 1 / C，晶胞参数一个= 7.972（1）埃，b = 15.741（2）埃，c ^ = 11.062（2） Å，β= 91.85（2）°。使用标准的Patterson解析晶体结构方法（锌）和随后的差分傅里叶技术。1989年观察到的反射和160个参数的各向异性全矩阵最小二乘优化收敛于R = 0.0335。