(4-chlorocarbonylphenyl) ferrocenyl ketone | 246024-60-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (4-chlorocarbonylphenyl) ferrocenyl ketone
• 英文别名: cyclopenta-1,3-diene;4-(cyclopenta-2,4-diene-1-carbonyl)benzoyl chloride;iron(2+)
• CAS: 246024-60-2
• 化学式: C₁₈H₁₃ClFeO₂
• 分子量: 352.6
• InChiKey: KOLXHRLCMMCVEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 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

• 作为产物：
  描述：

  二茂铁 、 对苯二甲酰氯 在 AlCl₃ 作用下， 以 二氯甲烷 为溶剂， 以20%的产率得到(4-chlorocarbonylphenyl) ferrocenyl ketone
  参考文献：
  名称：

  Keto-acid chloride and diketone intermediates in the acylation of ferrocene by arylene bis-acid chlorides. Crystal and molecular structure of 4-ferrocenylcarbonyl-4′-chlorocarbonylbiphenyl: intermolecular association by means of strong C–H⋯O hydrogen bonds and π⋯π stacking interactions

  摘要：

  Acylation of ferrocene with arylene bis-acid chlorides yields deep-red polymeric products. However, under controlled conditions two types of intermediate can be isolated and characterised: the keto-acid chlorides FcCO(arylene)COCl 1 [Fc = (C5H5)Fe(C5H4); a arylene = 4,4'-C6H4C6H4, b arylene = 1,3-C6H4, c arylene = 1,4-C6H4], followed in the case of 1a and 1b by the diketones FcCO(arylene)COFc 2a and 2b, although no conversion of 1c to 2c occurs. Similarly, use of 1,3,5-benzenetricarbonyl trichloride yielded 1,3,5-C6H3(COFc)(3). In the crystal structure of 1a, there are four independent molecules: pairs of molecules are linked into dimers by strong C-H ... O hydrogen bonds, and these dimers are linked into chains by pi...pi stacking interactions. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(99)00252-1