K(C3H4-1-Me) | 136295-05-1

• 英文名称: K(C3H4-1-Me)
• CAS: 136295-05-1；73891-67-5
• 化学式: C₄H₇K
• 分子量: 94.1979
• InChiKey: ATFQUSMPVNKJFD-UHFFFAOYSA-N

计算性质

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

反应信息

• 作为反应物：
  描述：

  K(C3H4-1-Me) 在 calcium iodide 作用下， 以 四氢呋喃 为溶剂， 以94%的产率得到Ca(C3H4-1-Me)2
  参考文献：
  名称：

  Allyl Calcium Compounds: Synthesis and Structure of Bis(η³-1-alkenyl)calcium

  摘要：

  Allyl calcium compounds of different chain lengths [Ca(R)(2)(THF)(x)] (x = 0.15-0.25 (1-Ca, 3-Ca), 0.25-0.75 (2-Ca)) were synthesized by salt metathesis of CaI2 with allylpotassium reagents [K(R)] (R = n-butenyl (1-K), isobutenyl (2-K), n-hexenyl (3-K)), prepared from the corresponding alpha-olefin and Schlosser base. The new calcium derivatives were obtained in nearly quantitative yields. 1-Ca and 2-Ca could be crystallized as triglyme adducts (triglyme: tris(ethylene glycol)dimethyl ether) and structurally characterized by single-crystal X-ray diffraction. All potassium precursors [K(R)] were also isolated and characterized by H-1 and C-13 NMR spectroscopy. The solution properties in THF are in agreement with an eta(3)-coordination mode of the allyl moiety for all isolated compounds. For the potassium reagents 1-K and 3-K, endo/exo equilibrium distributions of > 99:< 1 and 85:15 were observed, whereas for the calcium compounds 1-Ca and 3-Ca, distributions of 60:40 and 42:58 were found at 25 degrees C, respectively. This distribution pattern is discussed in the context of the behavior found for alkali metal analogues.

  DOI：

  10.1021/om200012k
• 作为产物：
  描述：

  丁烯 在 正丁基锂 、 potassium tert-butylate 作用下， 以 正己烷 、 正戊烷 为溶剂， 以77%的产率得到K(C3H4-1-Me)
  参考文献：
  名称：

  Allyl Calcium Compounds: Synthesis and Structure of Bis(η³-1-alkenyl)calcium

  摘要：

  Allyl calcium compounds of different chain lengths [Ca(R)(2)(THF)(x)] (x = 0.15-0.25 (1-Ca, 3-Ca), 0.25-0.75 (2-Ca)) were synthesized by salt metathesis of CaI2 with allylpotassium reagents [K(R)] (R = n-butenyl (1-K), isobutenyl (2-K), n-hexenyl (3-K)), prepared from the corresponding alpha-olefin and Schlosser base. The new calcium derivatives were obtained in nearly quantitative yields. 1-Ca and 2-Ca could be crystallized as triglyme adducts (triglyme: tris(ethylene glycol)dimethyl ether) and structurally characterized by single-crystal X-ray diffraction. All potassium precursors [K(R)] were also isolated and characterized by H-1 and C-13 NMR spectroscopy. The solution properties in THF are in agreement with an eta(3)-coordination mode of the allyl moiety for all isolated compounds. For the potassium reagents 1-K and 3-K, endo/exo equilibrium distributions of > 99:< 1 and 85:15 were observed, whereas for the calcium compounds 1-Ca and 3-Ca, distributions of 60:40 and 42:58 were found at 25 degrees C, respectively. This distribution pattern is discussed in the context of the behavior found for alkali metal analogues.

  DOI：

  10.1021/om200012k

文献信息

• Controlled Reduction of Nitriles by Sodium Hydride and Zinc Chloride
  作者：Shunsuke Chiba、Derek Yiren Ong

  DOI：10.1055/s-0039-1690838

  日期：2020.5

  new protocol for the controlled reduction of nitriles to aldehydes was developed using a combination of sodium hydride and zinc chloride. The iminyl zinc intermediates derived from aromatic nitriles could be further functionalized with allylmetal nucleophiles to afford homoallylamines. As the method allows the reduction of various aliphatic and aromatic nitriles with a concise procedure under milder

  使用氢化钠和氯化锌的组合，开发了一种控制腈还原为醛的新方案。衍生自芳族腈的亚胺基锌中间体可以用烯丙基金属亲核试剂进一步官能化以提供高烯丙基胺。由于该方法可以在较温和的反应条件下以简明的方法还原各种脂族和芳族腈，并且具有广泛的官能团相容性，因此非常适合用于化学合成中的各种机会。