恩杂鲁胺杂质X | 1895865-11-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 恩杂鲁胺杂质X
• 英文名称: N,N'-Bis[3-(trifluoromethyl-4-cyanophenyl]urea
• 英文别名: 1,3-bis[4-cyano-3-(trifluoromethyl)phenyl]urea
• CAS: 1895865-11-8
• 化学式: C₁₇H₈F₆N₄O
• 分子量: 398.267
• InChiKey: SANYYXRYMXRKGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  28
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  88.7
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  4-氨基-2-三氟甲基苯甲腈 、 N,N'-硫羰基二咪唑 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以110 g的产率得到4-异硫代氰酰基-2-(三氟甲基)苯甲腈
  参考文献：
  名称：

  [EN] AN IMPROVED PROCESS FOR THE PREPARATION OF ENZALUTAMIDE
  [FR] PROCÉDÉ AMÉLIORÉ DE PRÉPARATION D'ENZALUTAMIDE

  摘要：

  公开号：

  WO2016051423A3

文献信息

• AN IMPROVED PROCESS FOR THE PREPARATION OF ENZALUTAMIDE
  申请人：Laurus Labs Private Limited

  公开号：US20170313662A1

  公开（公告）日：2017-11-02

  The present invention relates to an improved process for the preparation of enzalutamide by conventional synthesis, which avoids utilization of microwave irradiation and noxious reagents. The present invention also relates to an improved process for preparation of 4-isothiocyanato-2-(trifluoromethyl) benzonitrile, which is an intermediate in the synthesis of Enzalutamide.

  本发明涉及一种改进的常规合成制备恩扎鲁胺的方法，避免使用微波辐射和有害试剂。本发明还涉及一种改进的制备4-异硫氰酸基-2-(三氟甲基)苯甲腈的方法，该方法是制备恩扎鲁胺的中间体。
• Process for the preparation of enzalutamide
  申请人：Laurus Labs Ltd.

  公开号：US10626091B2

  公开（公告）日：2020-04-21

  The present invention relates to an improved process for the preparation of enzalutamide by conventional synthesis, which avoids utilization of microwave irradiation and noxious reagents. The present invention also relates to an improved process for preparation of 4-isothiocyanato-2-(trifluoromethyl) benzonitrile, which is an intermediate in the synthesis of Enzalutamide.

  本发明涉及一种通过常规合成制备恩杂鲁胺的改进工艺，该工艺避免了微波辐照和有毒试剂的使用。本发明还涉及一种制备 4-异硫氰基-2-(三氟甲基)苯腈的改进工艺，它是合成恩杂鲁胺的中间体。
• PROCESS FOR THE PREPARATION OF ENZALUTAMIDE
  申请人：Laurus Labs Ltd.

  公开号：US20190127332A1

  公开（公告）日：2019-05-02

  The present invention relates to an improved process for the preparation of enzalutamide by conventional synthesis, which avoids utilization of microwave irradiation and noxious reagents. The present invention also relates to an improved process for preparation of 4-isothiocyanato-2-(trifluoromethyl) benzonitrile, which is an intermediate in the synthesis of Enzalutamide.