2,2,6,6-tetramethyl-3-iminoheptane-5-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2,6,6-tetramethyl-3-iminoheptane-5-one
• 英文别名: 5-amino-2,2,6,6-tetramethyl-4-hepten-3-one；5-Imino-2,2,6,6-tetramethylheptan-3-one；5-imino-2,2,6,6-tetramethylheptan-3-one
• 化学式: C₁₁H₂₁NO
• 分子量: 183.294
• InChiKey: ILHOJOMEWULGNQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  40.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,2,6,6-tetramethyl-3-iminoheptane-5-one 在 sodium 作用下， 以 甲醇 为溶剂， 生成 sodium 5-amino-2,2,6,6-tetramethyl-4-hepten-3-onate
  参考文献：
  名称：

  Thermal Properties of Cobalt(II) β-Iminoketonates

  摘要：

  DOI：

  10.1134/s107036322110008x
• 作为产物：
  描述：

  2,2,6,6-四甲基-3,5-庚二酮 在 氨 、 四氯化钛 作用下， 以80%的产率得到2,2,6,6-tetramethyl-3-iminoheptane-5-one
  参考文献：
  名称：

  Co(II) β-亚胺酮酸酯衍生物的 Hirshfeld 表面的晶体结构和特征

  摘要：

  空间群 P1̅, a = 11.7982(7) Å, b = 13.1673(9) Å, с = 17.6159(10) Å, α = 71.493(2)°, β = 83.478(2)°, γ = 72.829 °, V = 2478.7(3) Å3, Z = 4 (4); 空间群 Pbca, a = 7.8635(2) Å, b = 14.0521(4) Å, ñ = 29.8715(9) Å, V = 3300.76(16) Å3, Z = 8 (5)。在研究它们的 Hirshfeld 表面时，在分子 2 和 5 中发现了两对缩短的触点。热重法表明，配合物 1 和 2 是所研究系列中最易挥发的。

  DOI：

  10.1134/s0022476619070059

文献信息

• Crystal Structures and Characteristics of Hirshfeld Surfaces of Co(II) β-Iminoketonate Derivatives
  作者：S. I. Dorovskikh、D. A. Piryazev、P. A. Stabnikov、N. B. Morozova

  DOI：10.1134/s0022476619070059

  日期：2019.7

  general formula Co(L1)2, (L1 = i-acac (R = H, R1 = R2 = Me) – (1), Mei-acac (R = R1 = R2 = Me) – (2), i-thd (R = H, R1 = R2 = tBu) – (3), Mei-thd (R = Me, R1 = R2 = tBu) – (4)) and Co(L2) (L2= dmpda(acac)2 – (5) are obtained by the reaction of CoCl2 with the sodium salt of the corresponding β-iminoketonate ligand (L1 = R1C(O)CHC(NR)CR2 or L2 = MeC(O)CHC(Me)(NCH2C(Me)2CH2N)C(Me)CHC(O)Me) in methanol. Complexes

  空间群 P1̅, a = 11.7982(7) Å, b = 13.1673(9) Å, с = 17.6159(10) Å, α = 71.493(2)°, β = 83.478(2)°, γ = 72.829 °, V = 2478.7(3) Å3, Z = 4 (4); 空间群 Pbca, a = 7.8635(2) Å, b = 14.0521(4) Å, ñ = 29.8715(9) Å, V = 3300.76(16) Å3, Z = 8 (5)。在研究它们的 Hirshfeld 表面时，在分子 2 和 5 中发现了两对缩短的触点。热重法表明，配合物 1 和 2 是所研究系列中最易挥发的。
• Mass spectrometric study of the thermal decomposition mechanism of vapors of 2,2,6,6-tetramethyl-3-iminoheptane-5-one and its copper(II) complex
  作者：Assia E. Turgambaeva、Vladislav V. Krisyuk、Pavel A. Stabnikov、Igor K. Igumenov

  DOI：10.1016/j.jorganchem.2007.07.032

  日期：2007.10

  primary gaseous products, the mechanism of thermal decomposition is proposed. The decomposition of ketoimine on the heated surface begins at 350 ± 10 °C and proceeds by the elimination of terminal groups. Its copper complex decomposes in two directions and yields both molecular and radical products. The latter provide the assumption that metallic copper forms as the only one solid product. The results

  酮亚胺C（CH 3）3 C（NH）CH 2 C（O）C（CH 3）3（Htmha = 2,2,6,6-四甲基-3-亚氨基庚烷-5-one）和其螯合配位化合物与铜Cu（tmha）2在真空中和氢气存在下，通过原位质谱法对化合物进行了研究。实验是在接近低压化学气相沉积的条件下进行的，蒸发器温度为130°C，反应器温度范围为130–500°C。发现化合物在气相中是单体的。基于初级气体产物组成的温度依赖性，提出了热分解机理。酮亚胺在受热表面的分解始于350±10°C，并通过消除末端基团进行。它的铜络合物在两个方向分解，并产生分子和自由基产物。后者假设金属铜是唯一的一种固体产物。将获得的结果与二新戊酰甲烷磺酸铜（2,2,6，
• Ketoiminate versus diketonate ligand to improve lithium precursor properties: Structural consideration of two analogues
  作者：Aleksandr S. Sukhikh、Samara Urkasym kyzy、Asiya E. Turgambaeva、Denis P. Pishchur、Vladislav V. Krisyuk

  DOI：10.1016/j.poly.2023.116704

  日期：2024.1

  ligand can significantly improve the properties of volatile lithium complexes compared to β-diketonate analogues. For this purpose, the structure and properties of two volatile lithium complexes with similar bulky ligands are compared: for β-diketonate Li(tmhd) (1) (tmhd = 2,2,6,6-tetramethyl-heptane-3,5-dionate or dipivaloylmethanate, tBu-CO-CH-CO-tBu, where tBu = C(CH3)3) and β-ketoiminate Li(tmha) (2)

  提出了一种通过少量配体修饰来设计新的锂 MOCVD 前驱体的方法。研究表明，与β-二酮类似物相比，β-酮亚胺配体可以显着改善挥发性锂配合物的性能。为此，比较了具有相似大体积配体的两种挥发性锂配合物的结构和性质： 对于 β-二酮 Li(tmhd) ( 1 ) (tmhd = 2,2,6,6-四甲基-庚烷-3,5-二元酸酯或二新戊酰基甲烷酸酯，t Bu-CO-CH-CO- t Bu，其中t Bu = C(CH 3 ) 3 ) 和 β-酮亚胺酯 Li(tmha) ( 2 ) (tmha = 2,2,6,6-四甲基-庚烷-3-亚氨基-5-酮酸酯，t Bu-CO-CH-C(NH)-t Bu )。化合物2是新化合物，形式上是通过用 NH-基团取代氧供体原子从1衍生而来。采用相同的技术制备了这些化合物，并通过 X 射线衍射、红外光谱和拉曼光谱进行了研究。这些配合物的分子结构相似，由四聚体[LiL] 4和立方烷状Li
• Synthesis and physical and structural characterization of Ag(I) complexes supported by non-fluorinated β-diketonate and related ancillary ligands
  作者：Silvana C Ngo、Kulbinder K Banger、Paul J Toscano、John T Welch

  DOI：10.1016/s0277-5387(02)00980-4

  日期：2002.6

  A series of Ag(I) complexes, [Ag(X)L], where X is the anion of 2,2,6,6-tetramethyl-3,5-heptanedione (tmhdH), 2,2,7-trimethyl-3,5-octanedione (tmodH), 2-sila-2,2,6,6-tetramethyl-3,5-heptanedione (tmshdH), 5-mercapto-2,2,6,6-tetramethyl-4-hepten-3-one (S-tmhdH), 5-mercapto-2,2,7-trimethyl-4-octen-3-one (S-tmodH), or 5-amino-2,2,6,6-tetramethyl-4-hepten-3-one (N-tmhdH) and L = triphenylphosphine (PPh3) or tri-n-butylphosphine (PBu3) were prepared by treatment of silver nitrate with either the diketone derivative in the presence of a base or with the preformed sodium salt of the diketone derivative. The thermal properties of the new complexes were investigated for potential application in chemical vapor deposition (CVD) processes. Results of thermogravimetric analysis showed that the vast majority of the silver complexes have little promise for CVD, since the ligands dissociate at elevated temperatures without volatilization. The first ever reported single crystal X-ray diffraction studies of silver complexes, with simple, ancillary, non-fluorinated beta-diketonate supporting ligands, revealed [Ag(tmhd)(PPh3)] (la) to be monomeric and [Ag(S-tmhd)(PPh3)](2) (4a) to be dimeric in the solid state, respectively. (C) 2002 Elsevier Science Ltd. All rights reserved.
• Metal Containing Condensation Reaction Catalysts, Methods for Preparing the Catalysts, and Compositions Containing the Catalysts
  申请人：Dow Corning Corporation

  公开号：US20150337190A1

  公开（公告）日：2015-11-26

  A composition is capable of curing via condensation reaction. The composition uses a new condensation reaction catalyst. The new condensation reaction catalyst is used to replace conventional tin catalysts. The composition can react to form a gum, gel, rubber, or resin.