Acetic acid 4-acetoxy-7-(4-methyl-pentyl)-5,8-dihydro-naphthalen-1-yl ester | 289633-30-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: Acetic acid 4-acetoxy-7-(4-methyl-pentyl)-5,8-dihydro-naphthalen-1-yl ester
• 英文别名: [4-acetyloxy-6-(4-methylpentyl)-5,8-dihydronaphthalen-1-yl] acetate
• CAS: 289633-30-3
• 化学式: C₂₀H₂₆O₄
• 分子量: 330.424
• InChiKey: XWULQKFKQXONNZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Acetic acid 4-acetoxy-7-(4-methyl-pentyl)-5,8-dihydro-naphthalen-1-yl ester 在 lithium aluminium tetrahydride 、 碳酸氢钠 、 间氯过氧苯甲酸 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 11.0h， 生成 Acetic acid (6R,7S)-4,7-diacetoxy-6-(4-methyl-pentyl)-5,6,7,8-tetrahydro-naphthalen-1-yl ester
  参考文献：
  名称：

  New antineoplastic prenylhydroquinones. Synthesis and evaluation

  摘要：

  Several prenylhydroquinones have been prepared through Diels-Alder condensation, further functionalized or degraded chemically and then evaluated for their cytotoxic activity against some neoplastic cultured cell lines. A number of them have shown IC50 values under the mu M level. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00032-8
• 作为产物：
  描述：

  [4-Acetyloxy-6-(4-methylpent-3-enyl)-5,8-dihydronaphthalen-1-yl] acetate 在 Lindlar's catalyst 氢气 作用下， 以 乙酸乙酯 为溶剂， 反应 17.0h， 以97%的产率得到Acetic acid 4-acetoxy-7-(4-methyl-pentyl)-5,8-dihydro-naphthalen-1-yl ester
  参考文献：
  名称：

  New antineoplastic prenylhydroquinones. Synthesis and evaluation

  摘要：

  Several prenylhydroquinones have been prepared through Diels-Alder condensation, further functionalized or degraded chemically and then evaluated for their cytotoxic activity against some neoplastic cultured cell lines. A number of them have shown IC50 values under the mu M level. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00032-8

文献信息

• Cytotoxic–antineoplastic activity of hydroquinone derivatives
  作者：A MOLINARI、A OLIVA、P REINOSO、J DELCORRAL、M CASTRO、M GORDALIZA、M GUPTA、P SOLIS、A SANFELICIANO

  DOI：10.1016/s0223-5234(01)01329-0

  日期：2002.2

  Several myrcenylhydroquinone derivatives have been evaluated for their cytotoxic activity against three neoplastic cell line cultures and compared with the activity previously observed on other neoplastic systems. Also a new series of this type of compounds has been prepared and the compounds synthesised have been evaluated by their GI(50) values.

  已经评估了几种月桂烯基对苯二酚衍生物对三种肿瘤细胞系培养物的细胞毒活性，并与先前在其他肿瘤系统上观察到的活性进行了比较。还制备了这类化合物的新系列，并通过其GI（50）值评估了合成的化合物。