3-(4-methoxyphenyl)-1,2,5-triphenylpentane-1,5-dione | 412283-44-4

• 英文名称: 3-(4-methoxyphenyl)-1,2,5-triphenylpentane-1,5-dione
• 英文别名: 3-(4-methoxy-phenyl)-1,2,5-triphenyl-pentane-1,5-dione；3-(4-Methoxy-phenyl)-1,2,5-triphenyl-pentan-1,5-dion
• CAS: 412283-44-4
• 化学式: C₃₀H₂₆O₃
• 分子量: 434.535
• InChiKey: RPAOTPOJDMFYJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.72
• 重原子数：
  33.0
• 可旋转键数：
  9.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  3-(4-methoxyphenyl)-1,2,5-triphenylpentane-1,5-dione 在 溶剂黄146 、 锌 作用下， 生成 4-(4-methoxy-phenyl)-1,2,3-triphenyl-cyclopentane-1,2-diol
  参考文献：
  名称：

  Tetraarylcyclopentadienes¹

  摘要：

  DOI：

  10.1021/ja01609a053
• 作为产物：
  描述：

  苯乙酮 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 3-(4-methoxyphenyl)-1,2,5-triphenylpentane-1,5-dione
  参考文献：
  名称：

  An efficient simple one-pot synthesis, characterization and structural studies of some 1,2,3,5-tetraarylpentane-1,5-diones

  摘要：

  A series of 1,2,3,5-tetraarylpentane-1,5-diones (9-23) were synthesised by simple one-pot method and characterized by FT-IR, H-1 NMR, C-13 NMR and mass spectral techniques. The structure of 3-(4-fluorophenyl)-1,2,5-triphenylpentane-1,5-dione (10) was determined by single crystal X-ray diffraction analysis. The compound 10 crystallize in monoclinic crystal system, in C2/c space group. The torsional angle between the two keto groups was found to be -29.50 degrees. The C(23)-C(22)-C(15)-C(8)-C(7) chain is almost planar with "W" conformation and observed maximum deviation is 0.122 A for C(15) from the C(23)/C(22)/C(15)/C(8)/C(7) plane. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2013.10.037

文献信息

• Sulfur-Promoted Oxidative Cyclization of Pentan-1-ones: Direct Access to Tetrasubstituted Furans from Deoxybenzoins and Chalcones
  作者：Van Phu Nguyen、Nhu Ngan Ha Nguyen、Nang Duy Lai、Dinh Hung Mac、Pascal Retailleau、Thanh Binh Nguyen

  DOI：10.1021/acs.orglett.3c02447

  日期：2023.9.1

  an important heterocyclic scaffold in natural product, bioorganic, and medicinal chemistry as well as in materials science. The system S8/DABCO/DMSO was found to efficiently mediate the oxidative cyclization of 1,2,3,5-tetraarylpentan-1-ones A, which were obtained in situ as the Michael adducts of chalcones 1 and deoxybenzoins 2, to furan 3. The strategy provided convenient and direct access to tetrasubstituted

  呋喃是天然产物、生物有机、药物化学以及材料科学中重要的杂环支架。发现系统 S 8 /DABCO/DMSO 可以有效介导 1,2,3,5-四芳基戊烷-1-酮A的氧化环化，该化合物是作为查尔酮1和脱氧苯偶姻2的迈克尔加合物原位获得的，生成呋喃3 . 该策略提供了从易于获得的具有高官能团耐受性的起始材料中方便、直接地获得四取代呋喃3 的方法。
• Hutchins et al., Journal of the Chemical Society, 1938, p. 1882,1884
  作者：Hutchins et al.

  DOI：——

  日期：——
• Dilthey et al., Journal fur praktische Chemie (Leipzig 1954), 1934, vol. <2>141, p. 331,347
  作者：Dilthey et al.

  DOI：——

  日期：——