1,3-Dimethoxy-1,3-dihydrophenanthro<4,5-cde>oxepine | 127065-13-8

• 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: 1,3-Dimethoxy-1,3-dihydrophenanthro<4,5-cde>oxepine
• 英文别名: 4,6-dimethoxy-4,6-dihydrophenanthro<4.5-cde>oxepin；4,6-dimethoxy-4,6-dihydrophenanthro(4.5-cde)oxepin；2,4-Dimethoxy-3-oxatetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaene
• CAS: 127065-13-8
• 化学式: C₁₈H₁₆O₃
• 分子量: 280.323
• InChiKey: CCBOQXOAYXMHOW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  甲醇 、 4-hydroperoxy-6-methoxy-4,6-dihydrophenanthro(4.5-cde)oxepin 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 生成 1,3-Dimethoxy-1,3-dihydrophenanthro<4,5-cde>oxepine
  参考文献：
  名称：

  Ozonolysis of acenaphthylene and 1-substituted acenaphthylenes

  摘要：

  DOI：

  10.1021/jo00299a024

文献信息

• Syntheses, structure analyses, and reactions of 1,3,5-trioxepanes and related compounds
  作者：Kevin J. McCullough、Araki Masuyama、Keith M. Morgan、Masatomo Nojima、Yuji Okada、Syuzo Satake、Shin-ya Takeda

  DOI：10.1039/a802928h

  日期：——

  Acid-catalysed condensations of 1,5- or 1,6-dicarbonyl compounds with ethylene glycol give 1,3,5-trioxepane derivatives as a result of neighbouring participation by the adjacent carbonyl group during the acetalization process. With trimethylene glycol, the related 1,3,5-trioxocanes have also been obtained. Reaction of the 1,3,5-trioxepanes with (a) Grignard reagents gives dialkyl-substituted cyclic

  1，5-或1，6-二羰基化合物与乙二醇的酸催化缩合产生1,3,5-三氧杂环丁烷衍生物，这是由于缩醛化过程中相邻羰基的相邻参与。使用三亚甲基二醇，也已经获得了相关的1,3,5-三氧杂环丁烷。1,3,5-三氧杂环丁烷与（a）格氏试剂反应生成二烷基取代的环状醚，（b）四氯化钛-烯丙基三丁基锡生成二烯丙基取代的环状醚，（c）在三氟甲磺酸三甲基甲硅烷基酯存在下的三乙基硅烷提供了相应的环醚。
• The Epigenetic Toxicity of Pyrene and Related Ozonation Byproducts Containing an Aldehyde Functional Group
  作者：Holly A. Herner、James E. Trosko、Susan J. Masten

  DOI：10.1021/es0106117

  日期：2001.9.1

  Gap junction intercellular communication (GJIC) was used to assess the epigenetic toxicity of pyrene, pure byproducts of pyrene ozonation, and other compounds similar in chemical structure. Byproduct mixtures collected from HPLC were also evaluated using GJIC. Of the 11 pure compounds studied, five inhibited GJIC completely. Two inhibiting compounds contained four rings and were the only compounds studied with greater than three rings. The remaining three compounds contained either two or three rings, and all three contained an aldehyde group. Toxicological evaluation and GC/MS of impure byproduct mixtures showed that two common compounds were found in inhibiting fractions. These common compounds contained both a bay region and at least one aldehyde group.
• SUGIMOTO, TOSHIYA;NOJIMA, MASATOMO;KUSABAYASHI, SHIGEKAZU, J. ORG. CHEM., 55,(1990) N2, C. 3816-3820
  作者：SUGIMOTO, TOSHIYA、NOJIMA, MASATOMO、KUSABAYASHI, SHIGEKAZU

  DOI：——

  日期：——