(E)-tetraethyl 4-methylene-5-(1-oxo-1-(4-(trifluoromethoxy)phenylamino)propan-2-ylidene)cyclohexane-1,1,2,2-tetracarboxylate | 1187438-56-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (E)-tetraethyl 4-methylene-5-(1-oxo-1-(4-(trifluoromethoxy)phenylamino)propan-2-ylidene)cyclohexane-1,1,2,2-tetracarboxylate
• 英文别名: tetraethyl (5E)-4-methylidene-5-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-ylidene]cyclohexane-1,1,2,2-tetracarboxylate
• CAS: 1187438-56-7
• 化学式: C₂₉H₃₄F₃NO₁₀
• 分子量: 613.585
• InChiKey: OPACTBLFLUSPGS-DYTRJAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  43
• 可旋转键数：
  15
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  144
• 氢给体数：
  1
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  2-allyl-2,3,3-tris-ethoxycarbonyl-hept-5-ynoic acid ethyl ester 、 4-三氟甲氧基苯基异氰酸酯 在 bis(1,5-cyclooctadiene)nickel (0) 、 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene 作用下， 以 甲苯 为溶剂， 反应 5.0h， 生成 (E)-tetraethyl 4-methylene-5-(1-oxo-1-(4-(trifluoromethoxy)phenylamino)propan-2-ylidene)cyclohexane-1,1,2,2-tetracarboxylate 、 (Z)-tetraethyl 4-methylene-5-(1-oxo-1-(4-(trifluoromethoxy)phenylamino)propan-2-ylidene)cyclohexane-1,1,2,2-tetracarboxylate
  参考文献：
  名称：

  Nickel-Catalyzed Cycloadditive Couplings of Enynes and Isocyanates

  摘要：

  A mild and general route for preparing dienamides is described. Nickel imidazolylidene complexes were used to mediate cycloadditive coupling between enynes and isocyanates. Dienamides were prepared in excellent yields and with good E:Z selectivity. These dienamides can be further manipulated through oxidative cyclization methods. When a terminal enyne is employed, cyclization affords a lactam rather than a dienamide.

  DOI：

  10.1021/ol901703t

文献信息

• Nickel-Catalyzed Cycloadditive Couplings of Enynes and Isocyanates
  作者：Brendan R. D’Souza、Janis Louie

  DOI：10.1021/ol901703t

  日期：2009.9.17

  A mild and general route for preparing dienamides is described. Nickel imidazolylidene complexes were used to mediate cycloadditive coupling between enynes and isocyanates. Dienamides were prepared in excellent yields and with good E:Z selectivity. These dienamides can be further manipulated through oxidative cyclization methods. When a terminal enyne is employed, cyclization affords a lactam rather than a dienamide.