1,3,4-thiadiazoyl-2-iminomethylferrocene | 499783-09-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 1,3,4-thiadiazoyl-2-iminomethylferrocene
• 英文别名: cyclopenta-1,3-diene;1-cyclopenta-2,4-dien-1-yl-N-(1,3,4-thiadiazol-2-yl)methanimine;iron(2+)
• CAS: 499783-09-4
• 化学式: C₁₃H₁₁FeN₃S
• 分子量: 297.163
• InChiKey: QIPVFUFXMUEATR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  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：

  1,3,4-thiadiazoyl-2-iminomethylferrocene 、 mercury(II) diacetate 、 lithium chloride 以 not given 为溶剂， 以0%的产率得到2-chloromercurio-1-[(1,3,4-thiadiazoyl-2-imino)methyl]ferrocene
  参考文献：
  名称：

  Studies on the synthesis and structural characterization of cyclomercurated ferrocenylimines containing heterocyclic ring

  摘要：

  The cyclomercurated ferrocenylimines containing heterocyclic ring can be prepared by the cyclomercuration of acylferrocene, followed by the condensation of the resulting product with the appropriate heterocyclic amine. This procedure provides an efficient method for the synthesis of cyclomerucurated ferrocenylimines containing heterocyclic ring which is difficultly synthesized by the traditional method, i.e. imination and then cyclomercuration. A series of these compounds were synthesized by this new method and characterized. The X-ray crystal structure of [HgCl(eta(5)-C5H3C(CH3)=N-2-C5H3N-6-CH3) Fe(eta(5)-C5H5)] (3d) has been determined and the reaction mechanism was proposed. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(02)01810-7
• 作为产物：
  描述：

  2-氨基-1,3,4-噻二唑 、 二茂铁甲醛 以 not given 为溶剂， 以66%的产率得到1,3,4-thiadiazoyl-2-iminomethylferrocene
  参考文献：
  名称：

  Studies on the synthesis and structural characterization of cyclomercurated ferrocenylimines containing heterocyclic ring

  摘要：

  The cyclomercurated ferrocenylimines containing heterocyclic ring can be prepared by the cyclomercuration of acylferrocene, followed by the condensation of the resulting product with the appropriate heterocyclic amine. This procedure provides an efficient method for the synthesis of cyclomerucurated ferrocenylimines containing heterocyclic ring which is difficultly synthesized by the traditional method, i.e. imination and then cyclomercuration. A series of these compounds were synthesized by this new method and characterized. The X-ray crystal structure of [HgCl(eta(5)-C5H3C(CH3)=N-2-C5H3N-6-CH3) Fe(eta(5)-C5H5)] (3d) has been determined and the reaction mechanism was proposed. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(02)01810-7

文献信息

• Synthesis and third-order optical nonlinearities of ferrocenyl Schiff base
  作者：Jian-Hong Jia、Xiao-Min Tao、Yu-Jin Li、Wei-Jian Sheng、Liang Han、Jian-Rong Gao、Yu-Fen Zheng

  DOI：10.1016/j.cplett.2011.08.035

  日期：2011.9

  Four ferrocenyl Schiff bases were synthesized from ferrocenecarboxaldehyde and aromatic amine. The yields were 46-73%. These compounds have a D-A structure and third-order nonlinear optical (NLO) properties. The third-order nonlinear optical properties of the compounds were measured using femtosecond degenerate four-wave mixing. The third-order NLO susceptibilities of the compounds were 2.21-3.32 x 10(-13) esu. The second-order hyperpolarizabilities of the molecules were 2.10-3.15 x 10(-31) esu. The response times were 42-63 fs. (C) 2011 Elsevier B.V. All rights reserved.