(η⁵-C₅H₅)Fe(CO)₃(η¹-N-maleimidato) | 868247-74-9

• 英文名称: (η⁵-C₅H₅)Fe(CO)₃(η¹-N-maleimidato)
• 英文别名: (η5-C5H5)Mo(CO)3(η1-N-maleimidato)；[(η5-cyclopentadienyl)Mo(CO)3(η1-N-maleimidato)]
• CAS: 868247-74-9
• 化学式: C₁₂H₇MoNO₅
• 分子量: 341.131
• InChiKey: LZYLYZKNHGDJHJ-UHFFFAOYSA-M

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：

  (η⁵-C₅H₅)Fe(CO)₃(η¹-N-maleimidato) 、 亚磷酸二甲酯 在 1,8-diazabicyclo[5.4.0]undec-7-ene 作用下， 以 二氯甲烷 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  The phospha-Michael addition of dimethyl- and diphenylphosphites to the η1-N-maleimidato ligand: Inhibition of serine hydrolases by half-sandwich metallocarbonyl azaphosphonates

  摘要：

  Dialkyl- and diphenyl phosphites react with the (eta(5)-C5H5)(x)(CO)(x)(eta(1)-N-maleimidato) (M = Fe, Mo; x = 2 or 3) complexes giving products of the phospha-Michael addition to the eta(1)-N-maleimidato ligand. One of these complexes (M=Fe, x=2) was characterized by X-ray diffraction. The synthesized metallocarbonyl azaphosphonates and the corresponding iron phosphonic acid act as inhibitors of certain serine hydrolases (AChE and BChE). The kinetic assays were performed and revealed that inhibition mechanism depends strongly on the enzyme and the structure of the inhibitor. (C) 2008 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.10.057

文献信息

• Diels-Alder reaction with cyclopentadiene and electronic structures of (η5-cyclopentadienyl)M(CO)x(η1-N-maleimidato) (M=Fe, Mo, W, x=2 or 3)
  作者：Bogna Rudolf、Marcin Palusiak、Janusz Zakrzewski

  DOI：10.1016/j.jorganchem.2008.12.031

  日期：2009.4

  Diels-Alder reaction of (η5-cyclopentadienyl)M(CO)x(η1-N-maleimidato) complexes (M = Fe, Mo, W, x = 2 or 3) with cyclopentadiene has been studied. The observed order of reactivity was: N-ethylmaleimide > W complex > Mo complex > Fe complex. The X-ray structures of the adducts have been determined for M = W and Fe. DFT calculations on the starting complexes have been performed to explain the observed

  （η的Diels-Alder反应5 -环戊二烯基）M（CO）X（η 1 - ñ -maleimidato）络合物（M =铁，钼，钨，X  = 2或3）与环戊二烯进行了研究。观察到的反应顺序为：N-乙基马来酰亚胺> W络合物> Mo络合物> Fe络合物。对于M ＝ W和Fe，已经确定了加合物的X射线结构。已对起始配合物进行了DFT计算，以解释观察到的反应顺序。
• Oxa-Michael reaction of metallocarbonyl complexes bearing the maleimidato ligand. Reactivity studies with selected hydroxy compounds
  作者：Aleksandra Kubicka、Emilia Fornal、Agnieszka B. Olejniczak、Agnieszka J. Rybarczyk-Pirek、Sławomir Wojtulewski、Bogna Rudolf

  DOI：10.1016/j.poly.2016.01.012

  日期：2016.3