1-(2-cyclohexylamino-phenylamino)-3,3-dimethylbutan-2-one | 795315-37-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-(2-cyclohexylamino-phenylamino)-3,3-dimethylbutan-2-one
• 英文别名: 1-[2-(Cyclohexylamino)anilino]-3,3-dimethylbutan-2-one
• CAS: 795315-37-6
• 化学式: C₁₈H₂₈N₂O
• 分子量: 288.433
• InChiKey: QZOYIMNMFPCPBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2-cyclohexylamino-phenylamino)-3,3-dimethylbutan-2-one 在 polymer-supported-2-tert-butylimino-2-diethylamino-1,3-dimethylperhydro-1,3,2-diazaphosphorine 作用下， 以 2,4-滴二甲胺盐 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-3-methyl-1H-benzo[f][1,3,5]triazepine-2,4(3H,5H)-dione
  参考文献：
  名称：

  Synthesis of a 1,3,5-benzotriazepine-2,4-dione based library

  摘要：

  A library of benzotriazepines has been synthesised employing microwave-mediated synthesis, supported resins and parallel synthesis methodology. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.05.025
• 作为产物：
  描述：

  N-cyclohexyl-2-nitroaniline 在 palladium 10% on activated carbon 、 氢气 、 potassium carbonate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 生成 1-(2-cyclohexylamino-phenylamino)-3,3-dimethylbutan-2-one
  参考文献：
  名称：

  Synthesis of a 1,3,5-benzotriazepine-2,4-dione based library

  摘要：

  A library of benzotriazepines has been synthesised employing microwave-mediated synthesis, supported resins and parallel synthesis methodology. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.05.025

文献信息

• [EN] BENZOTRIAZEPINE DERIVATIVES AND THEIR USE AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS<br/>[FR] DERIVES DE BENZOTRIAZEPINE ET LEUR UTILISATION EN TANT QUE LIGANDS DE RECEPTEUR DE LA GASTRINE ET DE LA CHOLECYSTOKININE
  申请人：BLACK JAMES FOUNDATION

  公开号：WO2004098610A1

  公开（公告）日：2004-11-18

  This invention relates to a compound of formula (I). The compound is useful for the treatment of gastrin related disorders.

  这项发明涉及一种化合物，其化学式为（I）。该化合物可用于治疗与胃泌素相关的疾病。
• Benzotriazepine derivatives and their use as gastrin and cholecystokinin receptor ligands
  申请人：Spencer John

  公开号：US20070082892A1

  公开（公告）日：2007-04-12

  This invention relates to a compound of formula (I). The compound is useful for the treatment of gastrin related disorders.

  本发明涉及一种式（I）的化合物。该化合物可用于治疗胃泌素相关疾病。
• Achiral, selective CCK2 receptor antagonists based on a 1,3,5-benzotriazepine-2,4-dione template
  作者：John Spencer、John Gaffen、Eric Griffin、Elaine A. Harper、Ian D. Linney、Iain M. McDonald、Sonia P. Roberts、Mark E. Shaxted、Trushar Adatia、Alan Bashall

  DOI：10.1016/j.bmc.2007.12.047

  日期：2008.3.15

  Novel, achiral 1H-1,3,5-benzotriazepine-2,4(3H,5H)-diones have been prepared and structurally characterized. These compounds are potent CCK2 receptor antagonists that display a high degree of selectivity over CCK1 receptors. (C) 2007 Elsevier Ltd. All rights reserved.
• Synthesis of a 1,3,5-benzotriazepine-2,4-dione based library
  作者：Irina Chuckowree、Murtaza Ali Syed、Giulia Getti、Asha Parbhu Patel、Hannah Garner、Graham J. Tizzard、Simon J. Coles、John Spencer

  DOI：10.1016/j.tetlet.2012.05.025

  日期：2012.7

  A library of benzotriazepines has been synthesised employing microwave-mediated synthesis, supported resins and parallel synthesis methodology. (C) 2012 Elsevier Ltd. All rights reserved.