1,7-bis(3-methoxy-4-n-butoxyphenyl)hepta-1,6-diene-3,5-dione

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 1,7-bis(3-methoxy-4-n-butoxyphenyl)hepta-1,6-diene-3,5-dione
• 英文别名: 1,7-bis(4-butyloxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione；(E,E)-1,7-bis(4-butyloxy-3-methoxy-phenyl)-1,6-heptadiene-3,5-dione；(1E,6E)-1,7-bis(4-butoxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
• 化学式: C₂₉H₃₆O₆
• 分子量: 480.601
• InChiKey: KTRPMXNQQDNLOU-UTLPMFLDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  35
• 可旋转键数：
  16
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  正溴丁烷 、 姜黄素 以83.3%的产率得到1,7-bis(3-methoxy-4-n-butoxyphenyl)hepta-1,6-diene-3,5-dione
  参考文献：
  名称：

  Isolation, characterization and insect growth inhibitory activity of major turmeric constituents and their derivatives againstSchistocerca gregaria (Forsk) andDysdercus koenigii (Walk)

  摘要：

  DOI：

  10.1002/1526-4998(200012)56:12<1086::aid-ps250>3.0.co;2-x

文献信息

• Crystal structure, optical properties and biological imaging of two curcumin derivatives
  作者：Guoyong Xu、Dong Wei、Jiafeng Wang、Bo Jiang、Mahong Wang、Xuan Xue、Shuangsheng Zhou、Baoxing Wu、Minghua Jiang

  DOI：10.1016/j.dyepig.2013.09.034

  日期：2014.2

  Two new curcumin derivatives, 1,7-bis(4-ethyloxy-3-methoxy-phenyl)-1,6-heptadiene-3,5-dione and 1,7-bis(4-butyloxy-3-methoxy-phenyl)-1,6-heptadiene-3,5-dione, are conveniently synthesized. Single and two-photon fluorescence of two compounds have been investigated. The two-photon absorption cross-sections (sigma) of the two compounds were calculated by quantum chemical method, which are as high as 386 and 418 x 10(-5) cm(4) s photon(-1) in dimethyl formamide (DMF), as well as up to 475 and 563 x 10(-5) cm(4) s photon(-1) in dichloromethane, respectively. Furthermore, cellular imaging results demonstrate that the as-prepared compounds have high photostability, strong fluorescence in the red region and are nontoxic up to 40 mu mol/L, which are suitable for long-term and high-specificity immunofluorescent cellular labeling. (C) 2013 Elsevier Ltd. All rights reserved.