2-(2-苯基色烯-4-亚基)乙醛 | 20399-90-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂醛
• 中文名称: 2-(2-苯基色烯-4-亚基)乙醛
• 英文名称: (2-phenylbenzopyran-4-ylidene)acetaldehyde
• 英文别名: (2-Phenyl-4H-1-benzopyran-4-ylidene)acetaldehyde；2-(2-phenylchromen-4-ylidene)acetaldehyde
• CAS: 20399-90-0
• 化学式: C₁₇H₁₂O₂
• 分子量: 248.281
• InChiKey: ZBSQNOLTGSHPRX-UHFFFAOYSA-N

物化性质

• 沸点：
  442.5±45.0 °C(Predicted)
• 密度：
  1.258±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  methyl(phenylthiolato)carbene(pentacarbonyl)chromium(0) 、 2-(2-苯基色烯-4-亚基)乙醛 在 (CH₃)3SiCl 、 Et₃N 作用下， 以 四氢呋喃 为溶剂， 以20%的产率得到
  参考文献：
  名称：

  Synthesis and NLO Properties of 4‐(4 H ‐Chalcogenopyran‐4‐ylidene and 4 H ‐chalcogenochromen‐4‐ylidene)‐1‐(phenylthio)but‐2‐enylidene Complexes – Electronic Influence of the Carbene Fragment

  摘要：

  AbstractThe synthesis of 4‐(4H‐chalcogenopyran‐4‐ylidene and 4H‐chalcogenochromen‐4‐ylidene)‐1‐(phenylthio)but‐2‐enylidene complexes is described and their non‐linear optical (NLO) properties have been investigated (as μβ by EFISH). NMR studies and X‐ray crystallographic analyses show that the (phenylthio)carbene fragment has a better electron‐withdrawing capability than the methoxy analogues and, likewise, the corresponding thiocarbenes have a more significant pyrylium character. The μβ values of these complexes were obtained from EFISH experiments. The microscopic NLO response is sensitive to the nature of the intracyclic chalcogen atom, the nature of the metal centre and the benzo‐annulation of the heterocycle. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)

  DOI：

  10.1002/ejic.200600300
• 作为产物：
  描述：

  2-苯基-1-苯并吡喃鎓高氯酸盐 、 三乙胺 在 碘 、 potassium carbonate 作用下， 生成 2-(2-苯基色烯-4-亚基)乙醛
  参考文献：
  名称：

  Enamines from iodine oxidation of trialkylamines. 1. Electrophilic capture by cationic heterocyclic rings

  摘要：

  DOI：

  10.1021/jo00189a004

文献信息

• γ-Methylene chalcogenapyrans and benzopyrans as proaromatic donors in “push–pull” Fischer type carbene complexes: Influences of chalcogen atom and chain length on the electronic and N.L.O. properties of these molecules
  作者：N. Faux、B. Caro、F. Robin-Le Guen、P. Le Poul、K. Nakatani、E. Ishow

  DOI：10.1016/j.jorganchem.2005.07.049

  日期：2005.11

  A new class of push-pull molecules bearing gamma-methylene chalcogenapyran and benzopyran nucleus as proaromatic donors and methoxypentacarbonyltungstene carbene fragment as acceptors is described. N.L.O. properties (as mu beta by EFISH) of these complexes have been investigated. The influence of the unsaturated chain length, of the presence of the fused aromatic ring and of the chalcogen atom on the first hyperpolarizability values are shown. (c) 2005 Elsevier B.V. All rights reserved.
• New donors with two-electron oxidation. Synthesis and electrochemical properties of highly conjugated bis(4H-thiopyrans) and bis(flavenes)
  作者：Chin H. Chen、Jeffrey J. Doney、George A. Reynolds、Franklin D. Saeva

  DOI：10.1021/jo00164a024

  日期：1983.8