benzoylacetone anile | 39196-22-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: benzoylacetone anile
• 英文别名: 2--4-phenyl-butanon-(4)；β-Phenylimino-butyrophenon；1-Phenyl-3-phenylimino-butan-1-on；Benzoylacetonanil；1-phenyl-3-N-(phenylimino)-1-butanone；benzoylacetone monoanile；(3e)-1-Phenyl-3-(phenylimino)butan-1-one；1-phenyl-3-phenyliminobutan-1-one
• CAS: 39196-22-0
• 化学式: C₁₆H₁₅NO
• mdl: MFCD00510139
• 分子量: 237.301
• InChiKey: OUILAXKWRISQKY-UHFFFAOYSA-N

物化性质

• 沸点：
  368.2±34.0 °C(Predicted)
• 密度：
  1.01±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  29.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  benzoylacetone anile 、 三甲基镓 以 环己烷 、 苯 为溶剂， 以84.6%的产率得到dimethyl[1-phenyl-3-N-(phenylimino)-1-butanonato]gallium
  参考文献：
  名称：

  Synthesis, characterization and luminescence study of dimethyl(β-ketoiminato)gallium (-indium) complexes: crystal structure of dimethyl[1-phenyl-3-N-(4-methoxyphenylimino)-1-butanonato]gallium

  摘要：

  Six dimethylgallium (indium) complexes of type Me2ML [M = Ga, L = 1-phenyl-3-N-(phenylimino)-1-butanonato (1), 1-phenyl-3-N-(p-methoxyphenylimino)-1-butanonato (2), 1-phenyl-3-N-(o-chloro phenylimino)-1-butanonato (3); M = In, L = 1-phenyl-3-N-(phenyl imino)-1-butanonato (4), 1-phenyl-3-N-(p-methoxyphenylimino)-1-butanonato (5), 1-phenyl-3-N-(o-chloro-phenylimino)-1-butanonato (6)] have been synthesized by reaction of trimethylgallium (indium) with appropriate 1-phenyl-3-N-(arylimino)-1-butanones. The complexes obtained have been characterized by elemental analysis, H-1 NMR, IR and mass spectroscopy. Structure of 2 has been determined by X-ray single-crystal analysis, in which Ga atom is four coordinated. Complexes 1-6 emit colors from blue to green (463-491 nm) when irradiated by UV light. The electroluminescent (EL) properties of 1-6 were examined by fabricating EL devices using 1-6 as emitter, respectively. The EL bands are located in the green region (509-522 nm). (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2004.07.058

文献信息

• Synthesis ofN-Aryl-5-alkylidene-2,5-dihydropyrrol-2-ones by“Cyclization/Dimroth Rearrangement” Reactions of 1,3-Dicarbonyl Dianions with Diimidoyl Dichlorides of Oxalic Acid
  作者：Joachim T. Anders、Helmar Görls、Peter Langer

  DOI：10.1002/ejoc.200300727

  日期：2004.5

  The reaction of dilithiated dicarbonyl compounds with oxaldiimidoyl dichlorides resulted in regio- and (E)/(Z)-diastereoselective formation of 5-alkylidene-3-arylamino-2,5-dihydropyrrol-2-ones. The products were formed by a domino “cyclization/Dimroth rearrangement” reaction. The mechanism and preparative scope of the cyclization was studied. The arylamino groups of the products were removed chemoselectively

  二锂化二羰基化合物与草酰二亚胺酰二氯的反应导致 5-亚烷基-3-芳基氨基-2,5-二氢吡咯-2-酮的区域-和(E)/(Z)-非对映选择性形成。产物是通过多米诺“环化/Dimroth 重排”反应形成的。研究了环化的机理和制备范围。在温和条件下通过水解裂解以高产率化学选择性地去除产物的芳氨基。从药理学和合成的角度来看，N-芳基-5-亚烷基-3-羟基-2,5-二氢吡咯-2-酮产品具有相当大的意义。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004)
• Five-co-ordinate compounds-II
  作者：K. Ramaiah、D.F. Martin

  DOI：10.1016/0022-1902(65)80031-8

  日期：1965.7

  The synthesis and attempted resolution of five-co-ordinate oxovanadium (IV) compounds is described. A compound of the type VOCh, where Ch2− is a quadridentate β-ketoimine, was partially resolved; the rates of racemization (dextro sample) and mutarotation and racemization (laevo fractions) are reported. Attempts to effect resolution of a representative series of compounds of the type VO(Ch)2, where

  描述了五配位氧钒（IV）化合物的合成和尝试拆分。CH 2-是四元β-酮亚胺的VOCh型化合物已部分分解；报告了消旋率（右旋样品）和诱变和消旋率（laevo分数）。尝试的代表系列类型VO（CH）的化合物的效果的分辨率2，在Ch -是二齿β酮亚胺，均未成功，可能是不存在的光学对映体的吸附率显著差异的原因。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: V: MVol.B2, 186, page 766 - 768
  作者：

  DOI：——

  日期：——