2-N-(2-hydroxy-1-ethylethylimino)-4-pentanone | 70157-14-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-N-(2-hydroxy-1-ethylethylimino)-4-pentanone
• 英文别名: 4-(1'-hydroxy-2'-butylamino)-3-pentene-2-one；4-(1-Hydroxy-2-butyl)-amino-3-penten-2-on；(Z)-4-(1-hydroxybutan-2-ylamino)pent-3-en-2-one
• CAS: 70157-14-1
• 化学式: C₉H₁₇NO₂
• 分子量: 171.239
• InChiKey: UAKPQCNIORGERE-ALCCZGGFSA-N

物化性质

• 沸点：
  119-120 °C(Press: 1.5 Torr)
• 密度：
  0.982±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-氨基-1-丁醇 、 乙酰丙酮 在 甲酸 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以86%的产率得到2-N-(2-hydroxy-1-ethylethylimino)-4-pentanone
  参考文献：
  名称：

  A study on the development of CVD precursors V – syntheses and characterization of new N-alkoxy-β-ketoiminate complexes of titanium

  摘要：

  The synthesis and characterization of various new titanium N-alkoxy-beta-ketoiminate complexes are reported. Reactions between N-alkoxy-beta-ketoimine ligands and Ti(O-iPr)4 resulted in dimeric [Ti(O-iPr)(2)(N-alkoxy-beta-ketoiminate)](2) complexes or monomeric [Ti(N-alkoxy-beta-ketoiniinate)(2)] ones depending on the amount of ligands. Terdentate N-alkoxy-beta-ketoiminate ligands do not prevent dimer complexes from undergoing disproportional rearrangement to produce Ti(O-iPr)(4) and [Ti(N-alkoxy-beta-ketoiminate)(2)]. The mechanism of this behavior is too complicated but it may include the dissociation and recoordination of ligands. Crystal structures of [Ti(N-alkoxy-beta-ketoiminate)(2)] (MeC(O)CHC(Me)NC(Et)CH2O (3f) and t-BuC(O)CHC(Me)NCH2CH(Me)O (3k)) show that these are distorted octahedron and beta-ketoiminate ligands appear to coordinate as a beta-imino enolate. Two terdentate beta-ketoiminate ligands coordinate meridionally and they are perpendicular to each other. Thermal characteristics of monomeric and dimeric titanium complexes were determined by TGA and DSC and these are reasonably volatile as potential precursors of TiO2 thin films. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2003.10.008

文献信息

• Singh,R.V.; Tandon,J.P., Journal fur praktische Chemie (Leipzig 1954), 1979, vol. 321, p. 141 - 150
  作者：Singh,R.V.、Tandon,J.P.

  DOI：——

  日期：——
• Mookerjee, M. N.; Singh, R. V.; Tandon, J. P., Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 1981, vol. 20, # 3, p. 246 - 248
  作者：Mookerjee, M. N.、Singh, R. V.、Tandon, J. P.

  DOI：——

  日期：——
• A study on the development of CVD precursors V – syntheses and characterization of new N-alkoxy-β-ketoiminate complexes of titanium
  作者：Sunkwon Lim、Bohyun Choi、Yo-sep Min、Daesig Kim、Il Yoon、Shim Sung Lee、Ik-Mo Lee

  DOI：10.1016/j.jorganchem.2003.10.008

  日期：2004.1

  The synthesis and characterization of various new titanium N-alkoxy-beta-ketoiminate complexes are reported. Reactions between N-alkoxy-beta-ketoimine ligands and Ti(O-iPr)4 resulted in dimeric [Ti(O-iPr)(2)(N-alkoxy-beta-ketoiminate)](2) complexes or monomeric [Ti(N-alkoxy-beta-ketoiniinate)(2)] ones depending on the amount of ligands. Terdentate N-alkoxy-beta-ketoiminate ligands do not prevent dimer complexes from undergoing disproportional rearrangement to produce Ti(O-iPr)(4) and [Ti(N-alkoxy-beta-ketoiminate)(2)]. The mechanism of this behavior is too complicated but it may include the dissociation and recoordination of ligands. Crystal structures of [Ti(N-alkoxy-beta-ketoiminate)(2)] (MeC(O)CHC(Me)NC(Et)CH2O (3f) and t-BuC(O)CHC(Me)NCH2CH(Me)O (3k)) show that these are distorted octahedron and beta-ketoiminate ligands appear to coordinate as a beta-imino enolate. Two terdentate beta-ketoiminate ligands coordinate meridionally and they are perpendicular to each other. Thermal characteristics of monomeric and dimeric titanium complexes were determined by TGA and DSC and these are reasonably volatile as potential precursors of TiO2 thin films. (C) 2003 Elsevier B.V. All rights reserved.