3-Me2NNC10H14O | 122407-16-3

• 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: 3-Me2NNC10H14O
• CAS: 122407-16-3
• 化学式: C₁₂H₂₀N₂O
• 分子量: 208.304
• InChiKey: BBYZGYXBRROBFA-PELKAZGASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.93
• 重原子数：
  15.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  32.67
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  3-Me2NNC10H14O 以 氘代氯仿 为溶剂， 生成 (1R,4S)-3-(Dimethyl-hydrazono)-1,7,7-trimethyl-bicyclo[2.2.1]heptan-2-one
  参考文献：
  名称：

  The crystal and molecular structure and circular dichroism spectra of (-)-2,3-bornanedione α- and β-hydrazones

  摘要：

  DOI：

  10.1016/s0040-4020(01)91848-4
• 作为产物：
  描述：

  (1R)-(-)-樟脑醌 、 偏二甲肼 生成 3-Me2NNC10H14O
  参考文献：
  名称：

  The crystal and molecular structure and circular dichroism spectra of (-)-2,3-bornanedione α- and β-hydrazones

  摘要：

  DOI：

  10.1016/s0040-4020(01)91848-4

文献信息

• Pentynol to furan conversion – Search for the best trans-[MX2(YNC10H14O)2] catalyst
  作者：M. Fernanda N.N. Carvalho、Adelino M. Galvão、Ana S.D. Ferreira

  DOI：10.1016/j.jorganchem.2009.02.004

  日期：2009.6

  Conversion of 4-pentyn-1-ol (A) into 2-methyl-2-pent-4-ynyloxy-tetrahydrofuran (B) is catalysed by camphorimine complexes trans-[PdCl2(YNC10H14O)(2)] (Y = NMe2, NHMe, NH2, OH, OMe, Pr-i, Ph), trans[PdBr2(YNC10H14O)(2)] (Y = NMe2, NH2, OH, Ph), trans-[PtCl2(YNC10H14O)(2)] (Y = NMe2, NHMe, NH2). In the presence of H2O those catalysts further promote the conversion of 2-methyl-2-pent-4-ynyloxy-tetrahydrofuran (B) into 5-(2-methyl-tetrahydrofuran-2-yloxy)-pentan-2-one (C). The efficiency of each process highly depends on the characteristics of the Y group (at the camphor ligand), the halide (co-ligand) and the transition metal. To ascertain on the relevance of each parameter into the properties of the catalysts, the rate constants for A -> B and B -> C processes, TON, TOF and catalysts Activities (A(i)) for A -> B conversion were calculated. From the three sets of complexes studied the most efficient catalyst is trans[PdCl2(H2NNC10H14O)(2)] while trans-[PdCl2(PhNC10H14O)(2)] is the less efficient. Palladium chloride are considerably better catalysts than palladium bromide complexes except in the case of trans[PdBr2(HONC10H14O)(2)] that resembles chloride complexes efficiency. Compared to palladium, platinum complexes are considerably less efficient catalysts. (c) 2009 Elsevier B.V. All rights reserved.