(1S,4R)-1-morpholino-p-menth-7-en-2-one (E)-oxime | 142864-38-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (1S,4R)-1-morpholino-p-menth-7-en-2-one (E)-oxime
• 英文别名: (1R*,4S*)-1-N-morpholino-n-menth-8-en-2-one E-oxime；(NE)-N-[(2R,5S)-2-methyl-2-morpholin-4-yl-5-prop-1-en-2-ylcyclohexylidene]hydroxylamine
• CAS: 142864-38-8
• 化学式: C₁₄H₂₄N₂O₂
• 分子量: 252.357
• InChiKey: LADFPSWRESZXCA-XMQMHNDASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  45.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  copper(II) choride dihydrate 、 (1S,4R)-1-morpholino-p-menth-7-en-2-one (E)-oxime 以 异丙醇 、 乙腈 为溶剂， 以60%的产率得到[Cu2((1R*,4S*)-1-N-morpholino-n-menth-8-en-2-one E-oxime)Cl4]
  参考文献：
  名称：

  摘要：

  Copper(II) complexes with (1R*,4S*)-1-N-morpholino-n-menth-8-en-4-one (HL), namely, [Cu-2(HL)(2)Cl-4] (I) and [Cu-2(HL)LCl3] . CH3CN (II), were synthesized and characterized by X-ray diffraction analysis, magnetic susceptibility, and EPR methods. The complexes have binuclear structures. In compound I, the coordination polyhedron of CuCl3N2 is a square pyramid in planar Cu2Cl2 metal cycle; the exchange couplings of unpaired electrons of Cu(II) ions are weak. Complex II incorporates polyhedra of CuCl2N2 (flattened tetrahedron) and of CuCl2N2O (trigonal bipyramid). The Cu2ClNO metal cycle is nonplanar with antiferromagnetic exchange coupling and exchange parameter -2J = 182 cm(-1). The EPR spectrum of compound I are analyzed.

  DOI：

  10.1023/a:1021106914937