6H-2,7,7-trimethyl-4,5,7,8-tetrahydrofuro<3,2-c>azepin-4-thione | 151699-80-8

• 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: 6H-2,7,7-trimethyl-4,5,7,8-tetrahydrofuro<3,2-c>azepin-4-thione
• 英文别名: 2,2,7-trimethyl-5,6,7,8-tetrahydro-4H-furo<3,2-c>azepine-4-thione；2,7,7-trimethyl-6,8-dihydro-5H-furo[3,2-c]azepine-4-thione
• CAS: 151699-80-8
• 化学式: C₁₁H₁₅NOS
• 分子量: 209.312
• InChiKey: RPNITEYQJPDONW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  57.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6H-2,7,7-trimethyl-4,5,7,8-tetrahydrofuro<3,2-c>azepin-4-thione 在 三乙胺 作用下， 以 二氯甲烷 、 苯 为溶剂， 反应 9.0h， 生成
  参考文献：
  名称：

  Synthesis of novel furo, thieno, and benzazetoazepines and evaluation of their cytotoxicity

  摘要：

  We report the regio- and stereoselective synthesis of a novel cis-C3N-C4X-C6N series (X=O, S, and C-2) from cyclic ketones. The cytotoxic activity of the now compounds was studied in five cell lines; the observed activities were in accordance with the concept of bioisosteric replacement. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00232-9
• 作为产物：
  描述：

  5,5-dimethyl-2-(2-oxopropyl)cyclohexane-1,3-dione 在 劳森试剂 、 sodium hydroxide 、 PPA 、 盐酸羟胺 作用下， 以 乙二醇二甲醚 、 乙醇 、 甲苯 、 苯 为溶剂， 反应 6.5h， 生成 6H-2,7,7-trimethyl-4,5,7,8-tetrahydrofuro<3,2-c>azepin-4-thione
  参考文献：
  名称：

  Synthesis of novel furo, thieno, and benzazetoazepines and evaluation of their cytotoxicity

  摘要：

  We report the regio- and stereoselective synthesis of a novel cis-C3N-C4X-C6N series (X=O, S, and C-2) from cyclic ketones. The cytotoxic activity of the now compounds was studied in five cell lines; the observed activities were in accordance with the concept of bioisosteric replacement. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00232-9

文献信息

• Cortes, Eduardo C.; Martinez, Roberto; Avila-Zarraga, J. Gustavo, Journal of Heterocyclic Chemistry, 1992, vol. 29, # 6, p. 1617 - 1619
  作者：Cortes, Eduardo C.、Martinez, Roberto、Avila-Zarraga, J. Gustavo

  DOI：——

  日期：——
• Synthesis of novel furo, thieno, and benzazetoazepines and evaluation of their cytotoxicity
  作者：L.Roberto Martı́nez、Jose Gustavo Avila Zarraga、Ma Esther Duran、Ma Teresa Ramı́rez Apam、Roberto Cañas

  DOI：10.1016/s0960-894x(02)00232-9

  日期：2002.6

  We report the regio- and stereoselective synthesis of a novel cis-C3N-C4X-C6N series (X=O, S, and C-2) from cyclic ketones. The cytotoxic activity of the now compounds was studied in five cell lines; the observed activities were in accordance with the concept of bioisosteric replacement. (C) 2002 Elsevier Science Ltd. All rights reserved.