benzyl 5-ferrocenyl-3,5-dimethyl-2-pyrazoline-1-dithiocarboxylate | 1638132-03-2

• 英文名称: benzyl 5-ferrocenyl-3,5-dimethyl-2-pyrazoline-1-dithiocarboxylate
• CAS: 1638132-03-2
• 化学式: C₂₃H₂₄FeN₂S₂
• 分子量: 448.436
• InChiKey: DXMAWTLWZHIFRW-NTEVMMBTSA-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：

  S-benzyldithiocarbazate 、 (E)-4-ferrocenylpent-3-en-2-one 以 乙醇 为溶剂， 反应 48.0h， 生成 benzyl 5-ferrocenyl-3,5-dimethyl-2-pyrazoline-1-dithiocarboxylate
  参考文献：
  名称：

  Crystal structures of methyl and benzyl 5-ferrocenyl-3,5-dimethyl-2-pyrazoline-1-dithiocarboxylate

  摘要：

  Reactions of E-4-ferrocenylpent-3-en-2-one with S-methyldithiocarbazate or S-benzyldithiocarbazate result in the formation of methyl 5-ferrocenyl-3,5-dimethyl-2-pyrazoline-1-dithiocarboxylate (1) or benzyl 5-ferrocenyl-3,5-dimethyl-2-pyrazoline-1-dithiocarboxylate (2). The single crystals of both products are obtained and their structures are identified by X-ray diffraction method with triclinic P-1 space groups. The cell parameters for compound 1 are as follows: a = 7.7029(8) , b = 10.1631(11) , c = 10.7305(12) , alpha = 101.3270(10)A degrees, beta = 90.6740(10)A degrees, gamma = 94.8390(10)A degrees, and V = 820.40(15) (3). For compound 2, the crystallographic data are: a = 7.953(3) , b = 10.970(5) , c = 12.534(3) , alpha = 84.718(5)A degrees, beta = 81.651(3)A degrees, gamma = 76.274(4), and V = 1049.1(7) (3).

  DOI：

  10.1134/s0022476613060152