1,2,3,9,10,11-hexamethoxy-5,7-dihydrodibenzoxepine | 133358-95-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 单宁
• 英文名称: 1,2,3,9,10,11-hexamethoxy-5,7-dihydrodibenzoxepine
• 英文别名: 5,7-dihydro-1,2,3,9,10,11-hexamethoxydibenzoxepine；(P,M)-1,2,3,9,10,11-hexamethoxy-5,7-dihydrodibenz[c,e]oxepine；1,2,3,9,10,11-Hexamethoxy-5,7-dihydro-dibenzoxepin；1,2,3,9,10,11-hexamethoxy-5,7-dihydro-dibenzo[c,e]oxepine；1,2,3,9,10,11-hexamethoxy-5,7-dihydrobenzo[d][2]benzoxepine
• CAS: 133358-95-9
• 化学式: C₂₀H₂₄O₇
• 分子量: 376.406
• InChiKey: KMSKVALFCBEDBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  64.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  5,7-二氢苯并[d][2]苯并氧杂卓-1,2,3,9,10,11-六醇 以65%的产率得到
  参考文献：
  名称：

  Kashiwada Yoshiki, Huang Li, Ballas Lawrence M., Jiang Jack B., Janzen Wi+, J. Med. Chem, 37 (1994) N 1, S 195-200

  摘要：

  DOI：

文献信息

• Insole, Joan M., Journal of Chemical Research, Miniprint, 1990, # 12, p. 2831 - 2867
  作者：Insole, Joan M.

  DOI：——

  日期：——
• Kashiwada; Huang; Ballas, Journal of Medicinal Chemistry, 1994, vol. 37, # 1, p. 195 - 200
  作者：Kashiwada、Huang、Ballas、Jiang、Janzen、Lee

  DOI：——

  日期：——
• Oxidative Biaryl Coupling Reaction of Phenol Ether Derivatives Using a Hypervalent Iodine(III) Reagent
  作者：Takeshi Takada、Mitsuhiro Arisawa、Michiyo Gyoten、Ryuji Hamada、Hirofumi Tohma、Yasuyuki Kita

  DOI：10.1021/jo980704f

  日期：1998.10.1

  The hypervalent iodine(III)-induced intramolecular biaryl coupling reaction of phenol ether derivatives (nonphenolic derivatives) was investigated with the aim of preparing various dibenzo heterocyclic compounds. 1,3-Diarylpropanes (1a-e), N-benzyl-N-phenethylamines (2a-c) and N,N-dibenzylamines (3a-e) react with a hypervalent iodine reagent, phenyliodine(III) bis(trifluoroacetate) (PIFA), containing BF3. Et2O in CH2Cl2 to give the biaryl coupling products (4-6) in good yield. As an application of the reaction, we examined the synthesis of oxygen- and sulfur-containing dibenzoheterocyclic compounds (12-15), whose side chain moiety could be easily cleaved by the known method to give 2,2'-substituted biphenyl compounds (16-18).
• Kashiwada Yoshiki, Huang Li, Ballas Lawrence M., Jiang Jack B., Janzen Wi+, J. Med. Chem, 37 (1994) N 1, S 195-200
  作者：Kashiwada Yoshiki, Huang Li, Ballas Lawrence M., Jiang Jack B., Janzen Wi+

  DOI：——

  日期：——
• (<i>P</i>,<i>M</i>)-1,2,3,9,10,11-Hexamethoxy-5,7-dihydrodibenz[<i>c</i>,<i>e</i>]oxepine and (<i>P</i>,<i>M</i>)-1,11-dimethyl-5,5,7,7-tetraphenyl-5,7-dihydrodibenz[<i>c</i>,<i>e</i>]oxepine
  作者：Anthony Linden、Markus Furegati、Andreas J. Rippert

  DOI：10.1107/s010827010400294x

  日期：2004.4.15

  The title compounds, C20H24O7 and C40H32O, respectively, are racemic oxepines, the molecules of which contain a chiral axis. Both molecules possess crystallographic C-2 symmetry and the seven-membered ring adopts a twisted-boat conformation.