5-(tert-butoxycarbonyl)amino-2-fluorobenzonitrile | 1093798-80-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-(tert-butoxycarbonyl)amino-2-fluorobenzonitrile
• 英文别名: tert-butyl N-(3-cyano-4-fluorophenyl)carbamate
• CAS: 1093798-80-1
• 化学式: C₁₂H₁₃FN₂O₂
• 分子量: 236.246
• InChiKey: XIMXPLBCXYFNCH-UHFFFAOYSA-N

物化性质

• 沸点：
  282.6±30.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  62.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-(tert-butoxycarbonyl)amino-2-fluorobenzonitrile 在 palladium 10% on activated carbon 、 镍 噻吩 、 氨 、 氢气 作用下， 以 甲醇 、 异丙醚 为溶剂， 反应 20.0h， 生成 tert-butyl N-[4-fluoro-3-[(propan-2-ylamino)methyl]phenyl]carbamate
  参考文献：
  名称：

  WO2008/155421

  摘要：

  公开号：
• 作为产物：
  描述：

  5-amino-2-fluorobenzonitrile monohydrochloride 、 二碳酸二叔丁酯 在 4-二甲氨基吡啶 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 5-(tert-butoxycarbonyl)amino-2-fluorobenzonitrile
  参考文献：
  名称：

  WO2008/155421

  摘要：

  公开号：

文献信息

• 말단 아민기에 아릴 또는 헤테로아릴기가 치환된 신규한 히드라존 유도체 및 이의 용도
  申请人：KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 한국과학기술연구원(319980077518) BRN ▼209-82-03522

  公开号：KR20200076655A

  公开（公告）日：2020-06-29

  본 발명은 말단 아민기에 아릴 또는 헤테로아릴기가 치환된 신규한 히드라존 유도체(hydrazone derivatives) 및 이의 용도에 관한 것이다.

  这项发明涉及末端氨基被芳基或杂芳基取代的新的腙衍生物(hydrazone derivatives)及其用途。
• NOVEL HYDRAZONE DERIVATIVE WITH ARYL OR HETEROARYL GROUP SUBSTITUTED AT TERMINAL AMINE GROUP THEREOF AND USE THEREOF
  申请人：Korea Institute of Science and Technology

  公开号：EP3901139A1

  公开（公告）日：2021-10-27

  The present invention relates to novel hydrazone derivatives in which a terminal amine group is substituted with an aryl group or a heteroaryl group, and uses thereof.

  本发明涉及末端胺基被芳基或杂芳基取代的新型腙衍生物及其用途。
• EP3901139
  申请人：——

  公开号：——

  公开（公告）日：——
• INDOLIN-2-ONES AND AZA-INDOLIN-2-ONES
  申请人：Diels Gaston Stanislas Marcella

  公开号：US20100190786A1

  公开（公告）日：2010-07-29

  The present invention relates to compounds or pharmaceutically-acceptable salts thereof, processes for preparing them, pharmaceutical compositions containing them and their use in therapy. The invention particularly relates to certain indolin-2-ones and aza-indolin-2-ones which possess anti-tumour activity and are accordingly useful in methods of treatment of the human or animal body, in particular such compounds are useful in the treatment of pathological processes which involve an aberrant cellular proliferation, such as tumor growth, rheumatoid arthritis, restenosis and atherosclerosis.
• NOVEL HYDRAZONE DERIVATIVE IN WHICH TERMINAL AMINE GROUP IS SUBSTITUTED WITH ARYL GROUP OR HETEROARYL GROUP, AND USE THEREOF
  申请人：KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

  公开号：US20220396553A1

  公开（公告）日：2022-12-15

  The present invention relates to novel hydrazone derivatives in which a terminal amine group is substituted with an aryl group or a heteroaryl group, and uses thereof.