3-Cyclohexylaminomethylen-pentan-2,4-dion | 53630-84-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-Cyclohexylaminomethylen-pentan-2,4-dion
• 英文别名: 3-[(cyclohexylamino)methylidene]pentane-2,4-dione
• CAS: 53630-84-5
• 化学式: C₁₂H₁₉NO₂
• 分子量: 209.288
• InChiKey: DCCOAXUGZJUZLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-乙氧亚甲基-2,4-戊二酮 、 环己胺 以 乙腈 为溶剂， 生成 3-Cyclohexylaminomethylen-pentan-2,4-dion
  参考文献：
  名称：

  NMR Part 4 —17O NMR study of 2,2-diacylenamines of Enaminones

  摘要：

  Natural abundance 170 NMR spectra of 41 2,2-diacylenamines (enamino diketones and enamino diesters), recorded in acetonitrile solution, are reported. Tertiary enamino diketones show only one O-17 signal; primary and secondary derivatives show two O-17 signals. The shift difference (Delta delta(HB)) between the two carbonyl groups is mainly attributed to intramolecular hydrogen bonding and depends on the donor property of the amino group and the structure of the enamino diketone. The delta(O-17) values correlate well with the pK(a) values of amines. Correlations of delta(O-17-1) values for the chelated carbonyl group with their delta(C-13-1) and delta(C-13-2) values are observed. (C) 1997 by John Wiley & Sons, Ltd.

  DOI：

  10.1002/(sici)1097-458x(199707)35:7<432::aid-omr107>3.0.co;2-f

文献信息

• A new preparation and some reactions of organocopper(I) isonitrile complexes
  作者：Yoshihiko Ito、Toshiro Konoike、Takeo Saegusa

  DOI：10.1016/s0022-328x(00)80312-5

  日期：1975.2

  A new preparation and some reactions of organocopper(I) isonitrile complexes are described. In the presence of isonitrile (RNC), some active hydrogen compounds (R'H) react smoothly with Cu2O and with metallic copper, evolving H2O and hydrogen, respectively, to produce organocopper(I) isonitrile complexes, R'Cu(RNC)2. The isonitrile insertion and the oxidative coupling by iodine of these complexes are

  描述了一种有机铜（I）异腈配合物的新制备方法和一些反应。在存在异腈（RNC）的情况下，一些活性氢化合物（R'H）与Cu 2 O和金属铜平稳反应，分别释放出H 2 O和氢，从而生成有机铜（I）异腈配合物R'Cu （RNC）2。这些配合物的异腈插入和碘的氧化偶合在此描述。
• NMR Part 4 —17O NMR study of 2,2-diacylenamines of Enaminones
  作者：Jin-Cong Zhuo

  DOI：10.1002/(sici)1097-458x(199707)35:7<432::aid-omr107>3.0.co;2-f

  日期：1997.7

  Natural abundance 170 NMR spectra of 41 2,2-diacylenamines (enamino diketones and enamino diesters), recorded in acetonitrile solution, are reported. Tertiary enamino diketones show only one O-17 signal; primary and secondary derivatives show two O-17 signals. The shift difference (Delta delta(HB)) between the two carbonyl groups is mainly attributed to intramolecular hydrogen bonding and depends on the donor property of the amino group and the structure of the enamino diketone. The delta(O-17) values correlate well with the pK(a) values of amines. Correlations of delta(O-17-1) values for the chelated carbonyl group with their delta(C-13-1) and delta(C-13-2) values are observed. (C) 1997 by John Wiley & Sons, Ltd.