(2E,2'E)-1,1'-((octane-1,8-diylbis(oxy))bis(4,1-phenylene))bis(3-(thiophen-2-yl)prop-2-en-1-one) | 1649441-45-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (2E,2'E)-1,1'-((octane-1,8-diylbis(oxy))bis(4,1-phenylene))bis(3-(thiophen-2-yl)prop-2-en-1-one)
• 英文别名: (E)-3-thiophen-2-yl-1-[4-[8-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenoxy]octoxy]phenyl]prop-2-en-1-one
• CAS: 1649441-45-1
• 化学式: C₃₄H₃₄O₄S₂
• 分子量: 570.774
• InChiKey: NFZZCVLUSWKPNQ-FLFKKZLDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  40
• 可旋转键数：
  17
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  109
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (2E,2'E)-1,1'-((octane-1,8-diylbis(oxy))bis(4,1-phenylene))bis(3-(thiophen-2-yl)prop-2-en-1-one) 、 苯肼 以 乙醇 为溶剂， 反应 8.0h， 以70%的产率得到(3R)-2-phenyl-5-[4-[8-[4-[(3S)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenoxy]octoxy]phenyl]-3-thiophen-2-yl-3,4-dihydropyrazole
  参考文献：
  名称：

  Synthesis and Antimicrobial Studies of New Bis[4,5-dihydro-1-phenyl-5-thienyl-3-(phenyl-4-alkoxy)-1H-pyrazole] Derivatives

  摘要：

  Syntheses and antimicrobial behavior of the alkyl linked new bispyrazolines 4a, 4b, 4c, 4d, 4e, 4f, 4g have been investigated. These compounds exhibited better antimicrobial activities as compared with their corresponding bischalcones. The structures of the prepared compounds (3a, 3b, 3c, 3d, 3e, 3f, 3g and 4a, 4b, 4c, 4d, 4e, 4f, 4g) were determined from the rigorous analysis of their IR, 1H NMR, 13C NMR, and mass spectral parameters.

  DOI：

  10.1002/jhet.1805
• 作为产物：
  描述：

  2-噻吩甲醛 在 四丁基碘化铵 、 potassium carbonate 、 sodium hydroxide 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 16.0h， 生成 (2E,2'E)-1,1'-((octane-1,8-diylbis(oxy))bis(4,1-phenylene))bis(3-(thiophen-2-yl)prop-2-en-1-one)
  参考文献：
  名称：

  Synthesis and Antimicrobial Studies of New Bis[4,5-dihydro-1-phenyl-5-thienyl-3-(phenyl-4-alkoxy)-1H-pyrazole] Derivatives

  摘要：

  Syntheses and antimicrobial behavior of the alkyl linked new bispyrazolines 4a, 4b, 4c, 4d, 4e, 4f, 4g have been investigated. These compounds exhibited better antimicrobial activities as compared with their corresponding bischalcones. The structures of the prepared compounds (3a, 3b, 3c, 3d, 3e, 3f, 3g and 4a, 4b, 4c, 4d, 4e, 4f, 4g) were determined from the rigorous analysis of their IR, 1H NMR, 13C NMR, and mass spectral parameters.

  DOI：

  10.1002/jhet.1805