1a,2,3,11c-Tetrahydro-6-methylbenzo(6,7)phenanthro(3,4-b)oxirene-2,3-diol | 63057-64-7

• 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: 1a,2,3,11c-Tetrahydro-6-methylbenzo(6,7)phenanthro(3,4-b)oxirene-2,3-diol
• 英文别名: 12-methyl-4-oxapentacyclo[9.8.0.02,8.03,5.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene-6,7-diol
• CAS: 63057-64-7
• 化学式: C₁₉H₁₆O₃
• 分子量: 292.334
• InChiKey: CTCQBMGFYNPCAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  53
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (1R,2S,3R,4S)-2-Bromo-7-methyl-1,2,3,4-tetrahydro-benzo[a]anthracene-1,3,4-triol 在 Amberlite<*>-IRA 400 作用下， 以 四氢呋喃 为溶剂， 生成 1a,2,3,11c-Tetrahydro-6-methylbenzo(6,7)phenanthro(3,4-b)oxirene-2,3-diol
  参考文献：
  名称：

  Syntheses of “unstable” diol epoxide metabolites of the potent carcinogens 7- and 12-methylbenz[a]anthracene

  摘要：

  Stereospecific syntheses of the anti- and syn-diol epoxides of 7- and 12-methylbenz[a] anthracene, suspected as active metabolites of the parent PAHs but previously thought to be too chemically reactive and unstable to isolate, are described and the pure compounds are shown to be moderately stable. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00032-2

文献信息

• Syntheses of “unstable” diol epoxide metabolites of the potent carcinogens 7- and 12-methylbenz[a]anthracene
  作者：Ronald G. Harvey、Cecilia Cortez、Alexander Kiselyov

  DOI：10.1016/s0960-894x(97)00032-2

  日期：1997.2

  Stereospecific syntheses of the anti- and syn-diol epoxides of 7- and 12-methylbenz[a] anthracene, suspected as active metabolites of the parent PAHs but previously thought to be too chemically reactive and unstable to isolate, are described and the pure compounds are shown to be moderately stable. (C) 1997, Elsevier Science Ltd.