2,8-Dinitro-4b,5,6,10b,11,12-hexahydro-chrysene-6,12-diol | 50637-57-5

• 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: 2,8-Dinitro-4b,5,6,10b,11,12-hexahydro-chrysene-6,12-diol
• 英文别名: 2,8-Dinitro-4b,5,6,10b,11,12-hexahydrochrysene-6,12-diol
• CAS: 50637-57-5
• 化学式: C₁₈H₁₆N₂O₆
• 分子量: 356.335
• InChiKey: JZRYOAGFWKYVJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  26
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  132
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,8-Dinitro-4b,5,6,10b,11,12-hexahydro-chrysene-6,12-diol 在 palladium on activated charcoal 氢气 、 4-甲基苯磺酸吡啶 作用下， 以 乙醇 、 苯 为溶剂， 生成 2,8-diamino crysene
  参考文献：
  名称：

  Samarium-induced reductive dimerization of methyl cinnamate: synthesis of 2,8-diamino chrysene

  摘要：

  Samarium metal-induced reductive dimerization of methyl cinnamate was performed for the first time. A unique role for aluminum was indicated in the dimerization reaction. The intermediate adipate ester was converted to 2,8-diamino chrysene. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.04.087
• 作为产物：
  描述：

  meso-3,4-diphenyladipic acid dimethyl ester 在 sodium tetrahydroborate 、 硫酸 、 硝酸 作用下， 以 乙醇 为溶剂， 生成 2,8-Dinitro-4b,5,6,10b,11,12-hexahydro-chrysene-6,12-diol
  参考文献：
  名称：

  Samarium-induced reductive dimerization of methyl cinnamate: synthesis of 2,8-diamino chrysene

  摘要：

  Samarium metal-induced reductive dimerization of methyl cinnamate was performed for the first time. A unique role for aluminum was indicated in the dimerization reaction. The intermediate adipate ester was converted to 2,8-diamino chrysene. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.04.087

文献信息

• Samarium-induced reductive dimerization of methyl cinnamate: synthesis of 2,8-diamino chrysene
  作者：Bimal K. Banik、M.S. Venkatraman、Indrani Banik、Manas K. Basu

  DOI：10.1016/j.tetlet.2004.04.087

  日期：2004.6

  Samarium metal-induced reductive dimerization of methyl cinnamate was performed for the first time. A unique role for aluminum was indicated in the dimerization reaction. The intermediate adipate ester was converted to 2,8-diamino chrysene. (C) 2004 Elsevier Ltd. All rights reserved.