1,1-dibenzoylbenzylideneimine | 24416-28-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 1,1-dibenzoylbenzylideneimine
• 英文别名: 1,3-diphenyl-2-(phenylimino)-1,3-propanedione；1,3-diphenyl-2-phenylimino-propane-1,3-dione；Propane-1,3-dione, 1,3-diphenyl-2-(phenylimino)-；1,3-diphenyl-2-phenyliminopropane-1,3-dione
• CAS: 24416-28-2
• 化学式: C₂₁H₁₅NO₂
• 分子量: 313.356
• InChiKey: NMYSMCUGIBQIHP-UHFFFAOYSA-N

物化性质

• 熔点：
  82-84 °C(Solv: ethanol (64-17-5))
• 沸点：
  479.0±28.0 °C(Predicted)
• 密度：
  1.10±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  46.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,1-dibenzoylbenzylideneimine 在 N-methylpyrrolidine N-oxide 作用下， 以 水 、 乙腈 为溶剂， 生成 2-oxo-1-phenyl-2-(phenylamino)ethyl benzoate
  参考文献：
  名称：

  1,3-二苯丙烷-1,2,3-三酮的2-一苯胺的水合。修订了水合产物的结构。

  摘要：

  苯甲酰1的碱催化水合反应提供了O-苯甲酰基曼德瑞胺（7），而不是先前报道的羟胺2。

  DOI：

  10.1016/s0040-4039(00)86956-7
• 作为产物：
  描述：

  二苯甲酰基甲烷 、 亚硝基苯 生成 1,1-dibenzoylbenzylideneimine
  参考文献：
  名称：

  1,3-二苯丙烷-1,2,3-三酮的2-一苯胺的水合。修订了水合产物的结构。

  摘要：

  苯甲酰1的碱催化水合反应提供了O-苯甲酰基曼德瑞胺（7），而不是先前报道的羟胺2。

  DOI：

  10.1016/s0040-4039(00)86956-7

文献信息

• The reaction of organophosphorus reagents with substituted-1,3-diphenylpropanetrione: New synthesis of azaphospholene derivatives
  作者：L. S. Boulos、M. H. N. Arsanious

  DOI：10.1002/hc.1078

  日期：——

  The reaction of 1,3-diphenyl-2-(phenylimino)-3-(ylidenemethyl-acetate)-1-propanone (5) with trisdialkylaminophosphines (6a,b) in refluxing toluene afforded the new oxazaphospholene products (7a–b). On the other hand, the cyclic azaphospholene adducts 8a–b were isolated from the reaction of 5 with 6a,b without solvent. Trialkyl phosphites 1b–c react with compound 5 to give the respective dialkyl phosphate

  1,3-二苯基-2-(苯基亚氨基)-3-(亚基甲基-乙酸酯)-1-丙酮 (5) 与三二烷基氨基膦 (6a,b) 在回流甲苯中反应得到新的氧氮杂磷烯产物 (7a-b)。另一方面，环状氮杂磷烯加合物 8a-b 是从 5 与 6a,b 的反应中分离出来的，没有溶剂。亚磷酸三烷基酯 1b-c 与化合物 5 反应生成各自的磷酸二烷基酯产物 (9a,b)。此外，三二烷基氨基膦 (6a,b) 与 2a 和 2b 反应分别生成偶极加合物 10a,b 和膦酸酯产物 11a,b。考虑了可能的反应机制，结构分配基于兼容的分析和光谱结果。© 2001 John Wiley & Sons, Inc. 杂原子化学 12:511–517, 2001
• Complete solution NMR analysis of three oligoimine model compounds
  作者：Lynne Spencer、William B. Euler、Daniel D. Traficante、Misoo Kim、William Rosen

  DOI：10.1002/(sici)1097-458x(199806)36:6<398::aid-omr315>3.3.co;2-l

  日期：1998.6

  A series of three model compounds (monomer, dimer and trimer analogues) representing polyisocyanides were synthesized and their solution NMR spectra were characterized. Analysis of the monomer and dimer analogues led to the conclusion that the most stable forms of these molecular systems are planar with the C-C bond in an s-trans conformation and the imine moieties in a Z conformation. In solution, the trimer analogue exhibits a preferred conformation that has a planar s-trans-diimine segment covalently attached to a magnetically isolated monoimine segment such that each segment is oriented at approximately 90 degrees to the other. This latter observation gives significant insight into the preferred molecular structure to be expected for sterically unconstrained poly(N-phenyliminomethylene) in solution. (C) 1998 John Wiley & Sons, Ltd.
• Arbuzov, B. A.; Polezhaeva, N. A.; Ovodova, O. V., Journal of general chemistry of the USSR, 1982, vol. 52, # 3, p. 446 - 449
  作者：Arbuzov, B. A.、Polezhaeva, N. A.、Ovodova, O. V.

  DOI：——

  日期：——
• Interaction of the 2-monoanil of 1,3-diphenyl-1,2,3-propanetrione with trimethyl phosphite and tris(dimethylamino)phosphine
  作者：N. A. Polezhaeva、M. N. Agafonov、B. A. Arbuzov

  DOI：10.1007/bf00924833

  日期：1979.3
• Conjugated Schiff's bases 16—Substituent effect on electron impact fragmentation of some 1-oxa-4-azabutadienes1
  作者：Janusz Moskal、Alexandra Moskal、Krzysztof Nagraba

  DOI：10.1002/oms.1210190208

  日期：1984.2

  AbstractThe electron impact fragmentation patterns of some 1‐oxa‐4‐azabutadienes have been determined and supported by the corresponding metastables. The effect of substituents on this fragmentation has been investigated. Satisfactory correlation of intensity ratios of the peaks characterizing the primary fragmentation versus the Brown and Okamoto σ+ substituent parameters has been found. The relationship between the substituent parameters and the dissociation energy ED,C(3)‐C(5), estimated with the help of appearance energies has been considered.

表征谱图