[1-Cyano-4-[2-(3-hydroxyprop-1-ynyl)phenyl]but-3-ynyl] 2-(2-nitrophenyl)propyl carbonate | 713497-04-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [1-Cyano-4-[2-(3-hydroxyprop-1-ynyl)phenyl]but-3-ynyl] 2-(2-nitrophenyl)propyl carbonate
• CAS: 713497-04-2
• 化学式: C₂₄H₂₀N₂O₆
• 分子量: 432.433
• InChiKey: WSLRQMHRRYMBCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  125
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  甲醇 、 1,4-环己二烯 、 硫酸二甲酯 、 [1-Cyano-4-[2-(3-hydroxyprop-1-ynyl)phenyl]but-3-ynyl] 2-(2-nitrophenyl)propyl carbonate 在 palladium on activated charcoal 三乙胺 、 sodium hydroxide 、 氢气 作用下， 反应 0.5h， 生成 (Z)-4-[2-(3-Hydroxy-prop-1-ynyl)-phenyl]-3-methoxy-but-2-enal 、 4-Cyclohexyl-3-methoxy-3,4-dihydro-1H-benzo[g]isochromene
  参考文献：
  名称：

  Synthesis and DNA damaging ability of enediyne model compounds possessing photo-triggering devices

  摘要：

  Enediyne model compounds possessing photo-triggering devices were developed. These enediynes afforded biradicals by UV irradiation and showed DNA cleaving activity. The DNA damage was confirmed to be mainly caused by the biradical, not singlet oxygen. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.02.096
• 作为产物：
  描述：

  1,2-二碘苯 在 咪唑 、 copper(l) iodide 、 四(三苯基膦)钯 、 氢氟酸 、 三乙胺 作用下， 以 二氯甲烷 、 甲苯 、 乙腈 为溶剂， 生成 [1-Cyano-4-[2-(3-hydroxyprop-1-ynyl)phenyl]but-3-ynyl] 2-(2-nitrophenyl)propyl carbonate
  参考文献：
  名称：

  Synthesis and DNA damaging ability of enediyne model compounds possessing photo-triggering devices

  摘要：

  Enediyne model compounds possessing photo-triggering devices were developed. These enediynes afforded biradicals by UV irradiation and showed DNA cleaving activity. The DNA damage was confirmed to be mainly caused by the biradical, not singlet oxygen. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.02.096

文献信息

• Synthesis and DNA damaging ability of enediyne model compounds possessing photo-triggering devices
  作者：Ichiro Suzuki、Shinsaku Uno、Yuko Tsuchiya、Akira Shigenaga、Hisao Nemoto、Masayuki Shibuya

  DOI：10.1016/j.bmcl.2004.02.096

  日期：2004.6

  Enediyne model compounds possessing photo-triggering devices were developed. These enediynes afforded biradicals by UV irradiation and showed DNA cleaving activity. The DNA damage was confirmed to be mainly caused by the biradical, not singlet oxygen. (C) 2004 Elsevier Ltd. All rights reserved.