ferrocene carboxylic acid 2,3,4,7-tetrahydro-1H-inden-2-yl ester | 691410-47-6

• 英文名称: ferrocene carboxylic acid 2,3,4,7-tetrahydro-1H-inden-2-yl ester
• 英文别名: ferrocene carboxylic acid 2,3,4,7-tetrahydro-1H-inden-2-yl ester
• CAS: 691410-47-6
• 化学式: C₂₀H₂₀FeO₂
• 分子量: 348.225
• InChiKey: ZYMVNXXJRHXWLP-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

• 作为反应物：
  描述：

  水合三氯化钌 、 ferrocene carboxylic acid 2,3,4,7-tetrahydro-1H-inden-2-yl ester 以 乙醇 为溶剂， 以53%的产率得到[Ru(ferrocene carboxylic acid indan-2-yl ester)Cl2]2
  参考文献：
  名称：

  2,3,4,7-Tetrahydro-1H-inden-2-ol: synthesis, molecular structure and coordination chemistry

  摘要：

  2,3,4,7-Tetrahydro-1H-inden-2-ol (1) has been synthesised by Birch reduction of indan-2-ol. A single-crystal X-ray structure analysis of 1 shows the compound to exist as hydrogen-bonded polymers along the c-axis due to the presence of a series of hydrogen-bonds between hydroxo functions. The ferrocene ester derivatives, ferrocene carboxylic acid 2,3,4,7-tetrahydro-1H-inden-2-yl ester (2) and ferrocene carboxylic acid indan-2-yl ester (3) have been prepared by peptidic coupling of ferrocene carboxylic acid with 1 and with indan-2-ol, respectively. The single-crystal X-ray structure analyses of 2 and 3 reveal in both cases the cyclopentadienyl rings to adopt an eclipsed conformation with the indenyl substituent being rotated out of the Cp ester plane by almost 90degrees, allowing no efficient interaction between the pi-system of the Cp ring and the indene moiety. The dienyl derivative 2 reacts with RuCl3 . nH(2)O in refluxing ethanol to afford [Ru(arene)Cl-2](2) (4) (arene = ferrocene carboxylic acid indan-2-yl ester) as a mixture of isomers. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2003.11.042
• 作为产物：
  描述：

  二茂铁甲酸 、 2,3,4,7‑tetrahydro‑1H‑inden‑2‑ol 在 N,N-dicyclohexylcarbodiimide 、 4-pyrrolidinopyridine 作用下， 以 二氯甲烷 为溶剂， 以91%的产率得到ferrocene carboxylic acid 2,3,4,7-tetrahydro-1H-inden-2-yl ester
  参考文献：
  名称：

  2,3,4,7-Tetrahydro-1H-inden-2-ol: synthesis, molecular structure and coordination chemistry

  摘要：

  2,3,4,7-Tetrahydro-1H-inden-2-ol (1) has been synthesised by Birch reduction of indan-2-ol. A single-crystal X-ray structure analysis of 1 shows the compound to exist as hydrogen-bonded polymers along the c-axis due to the presence of a series of hydrogen-bonds between hydroxo functions. The ferrocene ester derivatives, ferrocene carboxylic acid 2,3,4,7-tetrahydro-1H-inden-2-yl ester (2) and ferrocene carboxylic acid indan-2-yl ester (3) have been prepared by peptidic coupling of ferrocene carboxylic acid with 1 and with indan-2-ol, respectively. The single-crystal X-ray structure analyses of 2 and 3 reveal in both cases the cyclopentadienyl rings to adopt an eclipsed conformation with the indenyl substituent being rotated out of the Cp ester plane by almost 90degrees, allowing no efficient interaction between the pi-system of the Cp ring and the indene moiety. The dienyl derivative 2 reacts with RuCl3 . nH(2)O in refluxing ethanol to afford [Ru(arene)Cl-2](2) (4) (arene = ferrocene carboxylic acid indan-2-yl ester) as a mixture of isomers. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2003.11.042