butylmalonylbis(4-phenylsemicarbazide) | 175290-42-3

• 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: butylmalonylbis(4-phenylsemicarbazide)
• 英文别名: 1-phenyl-3-[2-[(phenylcarbamoylamino)carbamoyl]hexanoylamino]urea
• CAS: 175290-42-3
• 化学式: C₂₁H₂₆N₆O₄
• 分子量: 426.475
• InChiKey: JQOGHLJPCOSTTH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.18
• 重原子数：
  31.0
• 可旋转键数：
  9.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  147.44
• 氢给体数：
  6.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  butylmalonylbis(4-phenylsemicarbazide) 、 copper diacetate 在 H₂O 、 cetyltrimethylammonium bromide 作用下， 以 丙酮 为溶剂， 以85%的产率得到
  参考文献：
  名称：

  Synthesis and Structural Studies of Butylmalonyl-bis(4-phenylsemicarbazide) Complexes

  摘要：

  New transition metal complexes of Co-II, Ni-II, Cu-II and Fe-III with butylmalonylbis (4-phenylsemicarbazide), H(4)BMPS, have been synthesized chemically and electrochemicaly. Attempts have been made to ascertain their probable structures on the basis of elemental analyses, molar conductivity, spectra (IR, electronic and H-1 NMR) and magnetic measurements. IR data show that H(4)BMPS acts as a bidentate or hexadentate (with two metal ions) ligand coordinating via different modes. The stereochemistry of Co-II, Ni-II, Cu-II and Fe-III complexes was investigated with the help of magnetic and spectral studies. The crystal field parameters calculated for the Co-II and Ni-II complexes agree fairly well with that reported for known octahedral complexes. [Co-2(BMPS)(H2O)(4)] has a trigonal bipyramidal structure while [Ni-2(BMPS)(H2O)(4)] has mixed stereochemistry.

  DOI：

  10.1080/00945719608004261