[6,7-Dimethoxy-cyclopenta[def]chrysen-(4E)-ylidene]-hydrazine | 1061717-40-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: [6,7-Dimethoxy-cyclopenta[def]chrysen-(4E)-ylidene]-hydrazine
• CAS: 1061717-40-5
• 化学式: C₂₁H₁₆N₂O₂
• 分子量: 328.37
• InChiKey: UKEWQEUUMTYBRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.97
• 重原子数：
  25.0
• 可旋转键数：
  2.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  56.84
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  [6,7-Dimethoxy-cyclopenta[def]chrysen-(4E)-ylidene]-hydrazine 在 sodium hydroxide 、 三溴化硼 作用下， 以 二氯甲烷 、 二乙二醇 为溶剂， 反应 8.0h， 生成 6,7-dihydroxy-4H-cyclopentachrysene
  参考文献：
  名称：

  Stereoselective synthesis of putative diol epoxide metabolites of 4H-cyclopenta[def]chrysene.

  摘要：

  Syntheses of the anti-diol epoxide derivatives of the methylene-bridged polycyclic aromatic hydrocarbon 4H-cyclopenta[def]chrysene in both the bridge- and non-bridge-substituted rings (2 and 3) and the syn-diol epoxide derivative in the non-bridge-substituted ring (14) are described. These compounds are suspected to be active carcinogenic metabolites of the parent hydrocarbon. They are the first examples of the diol epoxide derivatives of a nonalternant methylene-bridged tumorigenic hydrocarbon to be synthesized, The bridge-substituted anti-diol epoxide derivative 2 is relatively stable, despite its relatively strained structure, and it possesses a unique ''locked'' structure which severely restricts conformational interconversion.

  DOI：

  10.1021/jo00120a039
• 作为产物：
  描述：

  7,8-dimethoxyphenyl-5-carbethoxychrysene 在 氢氟酸 、 肼 作用下， 以 二氯甲烷 、 二乙二醇 为溶剂， 反应 29.0h， 生成 [6,7-Dimethoxy-cyclopenta[def]chrysen-(4E)-ylidene]-hydrazine
  参考文献：
  名称：

  Stereoselective synthesis of putative diol epoxide metabolites of 4H-cyclopenta[def]chrysene.

  摘要：

  Syntheses of the anti-diol epoxide derivatives of the methylene-bridged polycyclic aromatic hydrocarbon 4H-cyclopenta[def]chrysene in both the bridge- and non-bridge-substituted rings (2 and 3) and the syn-diol epoxide derivative in the non-bridge-substituted ring (14) are described. These compounds are suspected to be active carcinogenic metabolites of the parent hydrocarbon. They are the first examples of the diol epoxide derivatives of a nonalternant methylene-bridged tumorigenic hydrocarbon to be synthesized, The bridge-substituted anti-diol epoxide derivative 2 is relatively stable, despite its relatively strained structure, and it possesses a unique ''locked'' structure which severely restricts conformational interconversion.

  DOI：

  10.1021/jo00120a039