N-[(5-bromo-2,3-dihydroinden-1-ylidene)amino]aniline | 947237-61-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: N-[(5-bromo-2,3-dihydroinden-1-ylidene)amino]aniline
• CAS: 947237-61-8
• 化学式: C₁₅H₁₃BrN₂
• 分子量: 301.186
• InChiKey: RZKHACHSVXQHAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.21
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  24.39
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  N-[(5-bromo-2,3-dihydroinden-1-ylidene)amino]aniline 在 Rh on carbon 盐酸 、 dimethyl sulfide borane 、 硫酸 、 氢气 、 溶剂黄146 、 间氯过氧苯甲酸 作用下， 以 甲醇 、 乙醇 、 二氯甲烷 、 甲苯 为溶剂， 生成 1-(9-bromo-11,12-dihydro-6H-dibenzo[b,f]azocin-5-yl)-ethanone
  参考文献：
  名称：

  Identification of a novel series of tetrahydrodibenzazocines as inhibitors of 17β-hydroxysteroid dehydrogenase type 3

  摘要：

  A novel series of 17 beta-hydroxysteroid dehydrogenase type 3 (17 beta-HSD3) inhibitors has been identified. These inhibitors, based on a dibenzazocine core, exhibited picomolar to low nanomolar inhibition of 17 beta-HSD3 in cell-free enzymatic as well as in cell-based transcriptional reporter assays. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.039
• 作为产物：
  描述：

  5-溴茚酮 、 苯肼 在 硫酸 作用下， 以 乙醇 为溶剂， 生成 N-[(5-bromo-2,3-dihydroinden-1-ylidene)amino]aniline
  参考文献：
  名称：

  Identification of a novel series of tetrahydrodibenzazocines as inhibitors of 17β-hydroxysteroid dehydrogenase type 3

  摘要：

  A novel series of 17 beta-hydroxysteroid dehydrogenase type 3 (17 beta-HSD3) inhibitors has been identified. These inhibitors, based on a dibenzazocine core, exhibited picomolar to low nanomolar inhibition of 17 beta-HSD3 in cell-free enzymatic as well as in cell-based transcriptional reporter assays. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.039

文献信息

• Polystyrene sulfonic acid catalyzed greener synthesis of hydrazones in aqueous medium using microwaves
  作者：Vivek Polshettiwar、Rajender S. Varma

  DOI：10.1016/j.tetlet.2007.06.038

  日期：2007.8

  An environmentally benign aqueous protocol for the synthesis of cyclic, bi-cyclic, and heterocyclic hydrazones using polystyrene sulfonic acid (PSSA) as a catalyst has been developed; the simple reaction proceeds efficiently in water in the absence of any organic solvent under microwave irradiation and involves basic filtration as the product isolation step. (c) 2007 Elsevier Ltd. All rights reserved.