N(3)-meta-fluorophenyl-benzophenone-thiosemicarbazone | 891553-77-8

• 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: N(3)-meta-fluorophenyl-benzophenone-thiosemicarbazone
• 英文别名: N(3)-meta-fluorophenylbenzophenone-thiosemicarbazone
• CAS: 891553-77-8
• 化学式: C₂₀H₁₆FN₃S
• 分子量: 349.432
• InChiKey: WSIKZFYCUPWNDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.56
• 重原子数：
  25.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  36.42
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  N(3)-meta-fluorophenyl-benzophenone-thiosemicarbazone 、 zinc(II) chloride 在 triethyl amine 作用下， 以 乙醇 为溶剂， 以74%的产率得到bis(N(3)-meta-fluorophenylbenzophenone-thiosemicarbazonato)zinc(II)
  参考文献：
  名称：

  Structural studies on acetophenone- and benzophenone-derived thiosemicarbazones and their zinc(II) complexes

  摘要：

  In the present work N(3)-meta-chlorophenyl- (HAc3mCl, 1) and N(3)-meta-fluorphenyl- (HAc3mF, 2) acetophenone thiosemicarbazone, and N(3)-meta-chlorophenyl- (HBz3mCl, 3) and N(3)-meta-fluorphenyl-(HBz3mF, 4) benzophenone thiosemicarbazone were obtained, as well as their zinc(II) complexes [Zn(Ac3mCl)(2)] (5), [Zn(Ac3mF)(2)] (6), [Zn(Bz3mCl)(2)] (7) and [Zn(Bz3mF)(2)] (8). Upon re-crystallization in DMSO:acetone conversion of 8 into [Zn(Bz3mF)(2)]center dot(DMSO) (8a) occurred. The crystal structures of 2, 5 and 8a were determined. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2011.11.035
• 作为产物：
  描述：

  异硫氰酸(3-氟苯)酯 在 硫酸 、 一水合肼 作用下， 以 甲醇 为溶剂， 反应 48.25h， 生成 N(3)-meta-fluorophenyl-benzophenone-thiosemicarbazone
  参考文献：
  名称：

  Structural studies on acetophenone- and benzophenone-derived thiosemicarbazones and their zinc(II) complexes

  摘要：

  In the present work N(3)-meta-chlorophenyl- (HAc3mCl, 1) and N(3)-meta-fluorphenyl- (HAc3mF, 2) acetophenone thiosemicarbazone, and N(3)-meta-chlorophenyl- (HBz3mCl, 3) and N(3)-meta-fluorphenyl-(HBz3mF, 4) benzophenone thiosemicarbazone were obtained, as well as their zinc(II) complexes [Zn(Ac3mCl)(2)] (5), [Zn(Ac3mF)(2)] (6), [Zn(Bz3mCl)(2)] (7) and [Zn(Bz3mF)(2)] (8). Upon re-crystallization in DMSO:acetone conversion of 8 into [Zn(Bz3mF)(2)]center dot(DMSO) (8a) occurred. The crystal structures of 2, 5 and 8a were determined. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2011.11.035