2-(ferrocenylmethylidene)-1,3-bis(dicyanomethylidene)indane | 138920-02-2

• 英文名称: 2-(ferrocenylmethylidene)-1,3-bis(dicyanomethylidene)indane
• CAS: 138920-02-2
• 化学式: C₂₆H₁₄FeN₄
• 分子量: 438.271
• InChiKey: BIRVOTYKIMTONH-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：

  二茂铁甲醛 、 1,3-双(二氰基亚甲基)茚满 以 乙酸酐 为溶剂， 以67%的产率得到2-(ferrocenylmethylidene)-1,3-bis(dicyanomethylidene)indane
  参考文献：
  名称：

  Ferrocenyl D-π-A chromophores containing 3-dicyanomethylidene-1-indanone and 1,3-bis(dicyanomethylidene)indane acceptor groups

  摘要：

  The nonlinear optical properties of ferrocenyl (Fc) D-pi-A chromophores containing powerful 3-dicyanomethylidene-1-indanone (2) and 1,3-bis(dicyanomethylidene)indane-based acceptor group (3) have been measured by EFISH technique at 1.907 mum and compared with those reported for the Fc compound containing the 3-dicyanomethylidene-2,3-benzo[b]thiophen-1,1-dioxide group (1). The values of mubeta(.)(2omega) are 160 and 280 x 10(-48) esu for 2 and 3, respectively, whereas 1 displays a value of 140 x 10(-48) esu [Inorg. Chim. Acta 242 (1996) 43]. The X-ray crystallographic study of 1 and 2 revealed significant distortions of the structure of the ferrocene moieties due to the contribution of a charge-separated eta(6)-fulvene mesomeric form and important steric effects. The cyclic voltammetry data showed an anodic shift of the Fe(II)/Fe(III) oxidation potentials of 2 and 3 in comparison to those of ferrocenecarboxaldehyde (4) and 2-(ferrocenylmethylidene)-1,3-indandione (5), and an approximately additive effect of the substitution of one or two carbonyl oxygens in 5 by the C(CN)(2) group. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(03)00222-5