tricarbonyl(1-phenylbuta-1,3-diene)iron(0) | 150675-33-5

• 英文名称: tricarbonyl(1-phenylbuta-1,3-diene)iron(0)
• 英文别名: ((E)-1-phenybutadiene)iron tricarbonyl
• CAS: 150675-33-5；12085-62-0
• 化学式: C₁₃H₁₀FeO₃
• 分子量: 270.068
• InChiKey: AFCYONYFGOJEKN-XCEMFBKFSA-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：

  tricarbonyl(1-phenylbuta-1,3-diene)iron(0) 在 (CH₃)3NO*2H₂O 、 P(C₆H₅)3 作用下， 以 丙酮 为溶剂， 生成 (phenylbutadiene)Fe(CO)2PPh3
  参考文献：
  名称：

  环状和非环状（二烯）Fe（CO）2 L配合物（L =膦，亚磷酸酯，异腈）的溶液结构和通量行为

  摘要：

  可变温度13 C和31 P NMR光谱已用于建立各种环状和非环状（二烯）Fe（CO）2 L配合物（L =膦，亚磷酸酯，异腈）的溶液结构和构象体种群。（2,3-二甲基丁二烯）Fe（CO）2 PPh 3和（反式，反式-2,4-己二烯）Fe（CO）2 PPh 3的固态结构已经确定，并用作分子模型的基础这些配合物中的空间位阻效应。

  DOI：

  10.1016/0022-328x(91)86199-z
• 作为产物：
  描述：

  diiron nonacarbonyl 、 1-苯-1,3-丁二烯 以 正己烷 为溶剂， 以81%的产率得到tricarbonyl(1-phenylbuta-1,3-diene)iron(0)
  参考文献：
  名称：

  （二烯）三羰基铁络合物的氢化物还原反应，以取代取代的（烯丙基）三羰基铁阴离子。用Et3BH-检测甲酰中间体在氢化（1,3-丁二烯）三羰基铁中的甲酰中间体

  摘要：

  Reactions of (butadiene)iron tricarbonyl or (1-phenylbutadiene)iron tricarbonyl with Et3BH-in tetrahydrofuran monitored by IR spectroscopy showed efficient conversion to the corresponding (allyl)iron tricarbonyl anions (CH3CH---CH---CH2)Fe(CO)3- and (CH3CH---CH-CHC6H5)Fe(CO)3-. Treatment of these solutions with (CH3)3SnCl resulted in formation of (anti-methallyl)Fe(CO)3-SnMe3, anti-12 and (anti-1-methyl-syn-3-phenylallyl)Fe(CO)3-SnMe3, anti,syn-13. These anti isomers thermally isomerize to their syn isomers by clean first-order kinetics (anti-12 to syn-12, k = 2.6 x 10(-5) s-1, 55-degrees-C; anti,syn-13 to syn,syn-13, k = 5.8 x 10(-6) s-1, 25-degrees-C). The sterochemistry of syn,syn-13 was confirmed by X-ray analysis (monoclinic, P2(1/n), a = 14.830(3) angstrom, b = 7.5651(18) angstrom, c = 15.7202(18) angstrom, beta = 102.001(13)-degrees, Z = 4). Treatment of the (allyl)iron tin complexes anti-12, syn-12, anti,syn-13, and syn,syn-13 with KH results in clean formation of the corresponding (allyl)iron tricarbonyl anions which can be isolated in good yields as their potassium salts. The configuration of the allyl unit is maintained in the reduction reaction. Low temperature H-1, H-2, and C-13 NMR experiments reveal that the anionic formyl complex (C4H6)(CO)2FeCHO- is an intermediate in the formation of (anti-methallyl)Fe(CO)3- from Et3BH- and (butadiene)iron tricarbonyl. Hydride migration from formyl to C1 of the butadiene ligand occurs at -50-degrees-C, k = 8.3 x 10(-5) s-1, DELTAG(double dagger) = 17 kcal/mol.

  DOI：

  10.1021/om00033a041

文献信息

• Experimental evidence for orbital symmetry control of stereochemistry in some (methylenecyclopropane)iron-carbonyl reactions
  作者：Allan R. Pinhas、Ashoka G. Samuelson、Rafael Risemberg、Edward V. Arnold、Jon Clardy、Barry K. Carpenter

  DOI：10.1021/ja00397a013

  日期：1981.4
• Gibson, Susan E.; Saberi, Stephen P.; Slawin, Alexandra M. Z., Journal of the Chemical Society. Perkin transactions I, 1995, # 17, p. 2147 - 2154
  作者：Gibson, Susan E.、Saberi, Stephen P.、Slawin, Alexandra M. Z.、Stanley, Paul D.、Ward, Mark F.、et al.

  DOI：——

  日期：——