2-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]-1,2,3,4-tetrahydronaphthalen-1-one | 82811-67-4

• 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: 2-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]-1,2,3,4-tetrahydronaphthalen-1-one
• 英文别名: 2-[1-Phenyl-3-(4-methoxyphenyl)propanon-1-yl-3]-5,6-benzocyclohexan-1-one；2-(p-Methoxy-alpha-phenacylbenzyl)-3,4-dihydro-1(2H)-naphthalenone；2-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]-3,4-dihydro-2H-naphthalen-1-one
• CAS: 82811-67-4
• 化学式: C₂₆H₂₄O₃
• 分子量: 384.475
• InChiKey: RPPKVLFSVRJEGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]-1,2,3,4-tetrahydronaphthalen-1-one 在 盐酸 、 硫化氢 作用下， 以 溶剂黄146 为溶剂， 以99%的产率得到4-(p-Methoxyphenyl)-2-phenyl-5,6-dihydro-4H-naphtho(1,2-b)thiopyran
  参考文献：
  名称：

  Search for antimicrobial drugs in benzohydro[thia]chromylium salts and their derivatives

  摘要：

  DOI：

  10.1007/bf00762051
• 作为产物：
  描述：

  3,4-二氢-1(2H)-萘酮 、 4-甲氧基查耳酮 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 以78%的产率得到2-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]-1,2,3,4-tetrahydronaphthalen-1-one
  参考文献：
  名称：

  Search for antimicrobial drugs in benzohydro[thia]chromylium salts and their derivatives

  摘要：

  DOI：

  10.1007/bf00762051

文献信息

• Chemistry of 1,5-diketones: I. Halogenation of aryl-substituted pent-2-ene-1,5-diones, pentane-1,5-diones, and their fused analogs
  作者：N. V. Pchelintseva、D. A. Tsimbalenko、O. V. Fedotova

  DOI：10.1134/s1070428007090059

  日期：2007.9

  Halogenation of 3-(4-methoxyphenyl)-1,5-diphenylpent-2-ene-1,5-dione, 3-(4-methoxyphenyl)-1,5diphenylpentane-1,5-dione, and 2-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl)-1,2,3,4-tetrahydronaphthalen-1-one with bromine, chlorine, and dichloro(phenyl)-lambda(3)-iodane leads to formation of the corresponding mono- bromo-, dichloro-, or trichloro-substituted 1,5-diketones, depending on the conditions. Halogenation of the aliphatic chain and methoxyphenyl substituent can be accompanied by heterocyclization to give pyrylium salts.
• Tsimbalenko; Fedotova; Kharchenko, Russian Journal of Organic Chemistry, 1999, vol. 35, # 11, p. 1673 - 1677
  作者：Tsimbalenko、Fedotova、Kharchenko

  DOI：——

  日期：——
• Electronic absorption spectra of pyrylium and benzodihydrochromenylium salts
  作者：A. M. Burov、N. V. Pchelintseva、O. V. Fedotova

  DOI：10.1007/s10593-008-0134-1

  日期：2008.8

  The electronic absorption spectra of benzodihydrochromenylium, tetrahydrochromenylium, and dichloropyrylium salts were studied for the first time. It was noticed that intramolecular charge transfer takes place mainly between the substituent at position 4 of the pyrylium ring and the pi-system of the cation as a whole, while the bathochromic shift depends substantially on the geometry of the molecule. It was shown that the chlorine atoms have an effect on the form of the spectra when they are introduced into the ring of the pyrylium cation and into the aryl substituents.
• KULIKOVA, L. K.;XARCHENKO, V. G.;KRIVENKO, A. P.;FEDOTOVA, O. V.;KRAVTSOV+, XIM.-FARMATS. ZH., 1982, 16, N 5, 545-548
  作者：KULIKOVA, L. K.、XARCHENKO, V. G.、KRIVENKO, A. P.、FEDOTOVA, O. V.、KRAVTSOV+

  DOI：——

  日期：——