1,2,3,4-Tetrachloro-5a,10a-dihydro-5,11-dioxa-6-aza-cyclohepta[b]naphthalene-6-carboxylic acid ethyl ester | 82697-82-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吖庚因类
• 英文名称: 1,2,3,4-Tetrachloro-5a,10a-dihydro-5,11-dioxa-6-aza-cyclohepta[b]naphthalene-6-carboxylic acid ethyl ester
• 英文别名: Ethyl 7,8,9,10-tetrachloro-5a,11a-dihydro-[1,4]benzodioxino[2,3-b]azepine-1-carboxylate
• CAS: 82697-82-3
• 化学式: C₁₅H₁₁Cl₄NO₄
• 分子量: 411.069
• InChiKey: BTFJUGBQSPHZRX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  48
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,2,3,4-Tetrachloro-5a,10a-dihydro-5,11-dioxa-6-aza-cyclohepta[b]naphthalene-6-carboxylic acid ethyl ester 以 苯 为溶剂， 反应 5.0h， 以88%的产率得到(6,7,8,9-tetrachloro-4a,10a-dihydro-dibenzo[1,4]dioxin-1-yl)-carbamic acid ethyl ester
  参考文献：
  名称：

  Photochemistry of 2,3-, 4,5,- and 2,7-Azepinobenzodioxins: Photochemical Rearrangement of 2,7-Azepinobenzodioxin to 2,3- and 4,5-Azepinobenzodioxins, and Formation of 2,3-Dihydrodibenzodioxin from 2,3- and 4,5-Azepinobenzodioxins

  摘要：

  Photoirradiation of a 2,7-azepinobenzodioxin with a low pressure mercury lamp afforded 2,3- and 4,5-azepinobenzodioxins, a 2,3-dihydrodibenzodioxin, and an azepine derivative. The analogous irradiation of a 2,3-azepinobenzodioxin gave a 2,3-dihydrodibenzodioxin. On the other hand, a 4,5-azepinobenzodioxin formed a dihydropyrrole derivative accompanied by a 2,3-dihydrodibenzodioxin. The effects of solvents and sensitizers were investigated.

  DOI：

  10.3987/com-02-s30
• 作为产物：
  描述：

  4,5,6,7-Tetrachloro-2,9-dioxa-15-aza-tricyclo[8.4.1.0^3,8]pentadeca-3(8),4,6,11,13-pentaene-15-carboxylic acid ethyl ester 以63%的产率得到
  参考文献：
  名称：

  SAITO KATSUHIRO; MUKAI TOSHIO; IIDA SHIGENORI, BULL. CHEM! SOC. JAP., 59,(1986) N 8, 2485-2488

  摘要：

  DOI：

文献信息

• SAITO, KATSUHIRO;IIDA, SHIGENORI;MUKAI, TOSHIO, HETEROCYCLES, 1982, 19, N 7, 1197-1202
  作者：SAITO, KATSUHIRO、IIDA, SHIGENORI、MUKAI, TOSHIO

  DOI：——

  日期：——
• SAITO KATSUHIRO; MUKAI TOSHIO; IIDA SHIGENORI, BULL. CHEM! SOC. JAP., 59,(1986) N 8, 2485-2488
  作者：SAITO KATSUHIRO、 MUKAI TOSHIO、 IIDA SHIGENORI

  DOI：——

  日期：——
• Photochemistry of Heterocyclic Cage Compound: Photoreaction of 2,7-Dihydroazepine to Give 2,3-Dihydroazepine and Photoreaction of the 2,3-Dihydroazepine to Form 1,2-Dihydroaniline
  作者：Katsuhiro Saito、Yoshitaka Emoto

  DOI：10.3987/com-00-s(i)35

  日期：——

  Photoirradiation of a heterocyelic cage compound, 2,7-dihydroazepine derivative with a low pressure mercury lamp afforded a 2,3-dihydroazepine derivative. This reaction was influenced by the solvent used. On the other hand, the analogous photoirradiation of the 2,3-dihydroazepine derivative gave a 1,2-dihydroaniline derivative. A presence of triplet sensitizer promoted the reaction.
• Photochemistry of 2,3-, 4,5,- and 2,7-Azepinobenzodioxins: Photochemical Rearrangement of 2,7-Azepinobenzodioxin to 2,3- and 4,5-Azepinobenzodioxins, and Formation of 2,3-Dihydrodibenzodioxin from 2,3- and 4,5-Azepinobenzodioxins
  作者：Katsuhiro Saito、Katsuhiko Ono、Yoshitaka Emoto、Kentaro Miyanaga

  DOI：10.3987/com-02-s30

  日期：——

  Photoirradiation of a 2,7-azepinobenzodioxin with a low pressure mercury lamp afforded 2,3- and 4,5-azepinobenzodioxins, a 2,3-dihydrodibenzodioxin, and an azepine derivative. The analogous irradiation of a 2,3-azepinobenzodioxin gave a 2,3-dihydrodibenzodioxin. On the other hand, a 4,5-azepinobenzodioxin formed a dihydropyrrole derivative accompanied by a 2,3-dihydrodibenzodioxin. The effects of solvents and sensitizers were investigated.