methyl 4H-cyclopenta[def]phenanthrene-4-carboxylate | 64884-36-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: methyl 4H-cyclopenta[def]phenanthrene-4-carboxylate
• 英文别名: 4H-cyclopenta[def]phenanthrene-4-carboxylic acid methyl ester；4H-Cyclopenta[def]phenanthren-4-carbonsaeure-methylester；4,5-Phenanthrylenessigsaeuremethylester；methyl tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene-15-carboxylate
• CAS: 64884-36-2
• 化学式: C₁₇H₁₂O₂
• 分子量: 248.281
• InChiKey: JZDZZUANXSUKNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.61
• 重原子数：
  19.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  methyl 4H-cyclopenta[def]phenanthrene-4-carboxylate 在 lithium aluminium tetrahydride 、 sodium methylate 、 phosphorus pentoxide 作用下， 以 xylene 为溶剂， 生成 4-甲基芘
  参考文献：
  名称：

  Rearrangements and ring expansions of 4H-cyclopenta[def]phenanthrene derivatives

  摘要：

  DOI：

  10.1021/jo00400a051
• 作为产物：
  描述：

  4,5-Phenanthrylenessigsaeure 、 甲醇 生成 methyl 4H-cyclopenta[def]phenanthrene-4-carboxylate
  参考文献：
  名称：

  KIMURA T.; MINABE M.; SUZUKI K., J. ORG. CHEM. , 1978, 43, NO 6, 1247-1248

  摘要：

  DOI：

文献信息

• Synthesis of <i>a</i><i>nti</i>- and <i>s</i><i>yn</i>-Diol Epoxides of <i>trans</i>-3,4-Dihydroxy-3,4-dihydrobenzo[<i>g</i><i>hi</i>]fluoranthene: Model Planar Diol Epoxides
  作者：Hui-Fang Chang、Bongsup P. Cho

  DOI：10.1021/jo9907944

  日期：1999.12.1

  We describe the preparation of anti- and syn-3,4-dihydroxy-5,5a-epoxy-3,4,5,5a-tetrahydrobenzo[ghi]fluoranthene (2 and 3) as model planar diol epoxides. These compounds were synthesized by a dihydroarene method in 10 steps starting from 4H-cyclopenta[def]phenanthrene. These are the first examples of diol epoxides in which a five-membered ring is fused to the saturated ring bearing an epoxide group, and they are the rigid analogues of the extensively studied benzo[c]phenanthrene diol epoxides (5 and 6). In accord with expectation, (1)H NMR data indicated that the diol conformations of 2 and 3 are locked into diequatorial and diaxial conformations, respectively, and thus are suitable for comparative DNA binding studies.
• 627. Syntheses of benzo[mno]fluoranthene and dibenzo[k, mno]-fluoranthene
  作者：Neil Campbell、David H. Reid

  DOI：10.1039/jr9520003281

  日期：——