1-[3-(二氟甲氧基)苯基]乙胺 | 926263-64-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-[3-(二氟甲氧基)苯基]乙胺
• 英文名称: 1-(3-(difluoromethoxy)phenyl)ethan-1-amine
• 英文别名: 1-(3-Difluoromethoxy-phenyl)-ethylamine；1-[3-(Difluoromethoxy)phenyl]ethanamine
• CAS: 926263-64-1
• 化学式: C₉H₁₁F₂NO
• mdl: MFCD09041463
• 分子量: 187.189
• InChiKey: KXLKJIXCWFZYIE-UHFFFAOYSA-N

物化性质

• 沸点：
  231.7±40.0 °C(Predicted)
• 密度：
  1.155±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4,5-二氯-6-甲基嘧啶 、 1-[3-(二氟甲氧基)苯基]乙胺 在 4-二甲氨基吡啶 作用下， 以 甲苯 为溶剂， 反应 8.0h， 生成
  参考文献：
  名称：

  Synthesis of benzylaminopyrimidines and their fungicidal activities against wheat brown rust and barley powdery mildew

  摘要：

  Members of a new class of fungicide containing benzyl-aminopyrimidine as a core structure were synthesized and their fungicidal potencies against wheat brown rust, Puccinia recondita, and barley powdery mildew, Erysiphe graminis, were assessed. Among these fungicides, N-(fluoroalkoxy or fluorophenoxybenzyl)-4-pyrimidinamines showed notable preventive activities. The potency of the new pyrimidines was increased when a difluoromethoxy or tetrafluorophenoxy group was introduced at the 4- or 3-position of the phenyl moiety and a methyl or ethyl group was introduced at the benzyl position. Structure-activity relationships are discussed. (C) 1998 Society of Chemical Industry.

  DOI：

  10.1002/(sici)1096-9063(1998110)54:3<223::aid-ps814>3.0.co;2-r
• 作为产物：
  描述：

  1-[3-(二氟甲氧基)苯基]乙酮 在 镍 sodium hydroxide 、 盐酸羟胺 、 氨 、 氢气 作用下， 以 乙醇 、 水 为溶剂， 60.0~100.0 ℃ 、1.96 MPa 条件下， 反应 11.0h， 生成 1-[3-(二氟甲氧基)苯基]乙胺
  参考文献：
  名称：

  Synthesis of benzylaminopyrimidines and their fungicidal activities against wheat brown rust and barley powdery mildew

  摘要：

  Members of a new class of fungicide containing benzyl-aminopyrimidine as a core structure were synthesized and their fungicidal potencies against wheat brown rust, Puccinia recondita, and barley powdery mildew, Erysiphe graminis, were assessed. Among these fungicides, N-(fluoroalkoxy or fluorophenoxybenzyl)-4-pyrimidinamines showed notable preventive activities. The potency of the new pyrimidines was increased when a difluoromethoxy or tetrafluorophenoxy group was introduced at the 4- or 3-position of the phenyl moiety and a methyl or ethyl group was introduced at the benzyl position. Structure-activity relationships are discussed. (C) 1998 Society of Chemical Industry.

  DOI：

  10.1002/(sici)1096-9063(1998110)54:3<223::aid-ps814>3.0.co;2-r

文献信息

• [EN] ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS<br/>[FR] DÉRIVÉS D'ALCOOL UTILISÉS EN TANT QU'AGENTS D'OUVERTURE DU CANAL POTASSIQUE KV7
  申请人：H LUNDBECK AS

  公开号：WO2019161877A1

  公开（公告）日：2019-08-29

  The present invention provides novel compounds which activate the Kv7 potassium channels. Separate aspects of the invention are directed to pharmaceutical compositions comprising said compounds and uses of the compounds to treat disorders responsive to the activation of Kv7 potassium channels.

  本发明提供了激活Kv7钾通道的新化合物。该发明的不同方面涉及包含所述化合物的药物组合物以及利用这些化合物治疗对Kv7钾通道激活敏感的疾病。
• ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS
  申请人：H. Lundbeck A/S

  公开号：US20190256456A1

  公开（公告）日：2019-08-22

  The present invention provides novel compounds which activate the Kv7 potassium channels. Separate aspects of the invention are directed to pharmaceutical compositions comprising said compounds and uses of the compounds to treat disorders responsive to the activation of Kv7 potassium channels.

  本发明提供了激活Kv7钾通道的新化合物。该发明的不同方面涉及包含所述化合物的药物组合物，以及利用这些化合物治疗对Kv7钾通道激活敏感的疾病。
• 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH
  申请人：NOVARTIS AG

  公开号：US10112931B2

  公开（公告）日：2018-10-30

  The invention is directed to a formula (I): or a pharmaceutically acceptable salt thereof, wherein R1, R2a, R2b and R3-R7 are herein. The invention is also directed to compositions containing a compound of formula (I) and to the use of such compounds in the inhibition of mutant IDH proteins having a neomorphic activity. The invention is further directed to the use of a compound of formula (I) in the treatment of diseases or disorders associated with such mutant IDH proteins including, but not limited to, cell-proliferation disorders, such as cancer.

  本发明涉及式 (I)： 或其药学上可接受的盐，其中 R1、R2a、R2b 和 R3-R7 在此处。本发明还涉及含有式（I）化合物的组合物，以及此类化合物在抑制具有新变态活性的突变 IDH 蛋白中的用途。本发明进一步涉及式（I）化合物在治疗与此类突变IDH蛋白相关的疾病或紊乱中的用途，包括但不限于细胞增殖紊乱，如癌症。
• Alcohol derivatives of carboxamides as Kv7 potassium channel openers
  申请人：H. Lundbeck A/S

  公开号：US10590067B2

  公开（公告）日：2020-03-17

  The present invention provides novel compounds which activate the Kv7 potassium channels. Exemplary compounds of the invention have the structure of Formula 1. Separate aspects of the invention are directed to pharmaceutical compositions comprising said compounds and uses of the compounds to treat disorders responsive to the activation of Kv7 potassium channels.

  本发明提供了激活 Kv7 钾通道的新型化合物。本发明的示例化合物具有式 1 的结构。 本发明的其他方面涉及包含所述化合物的药物组合物，以及所述化合物用于治疗对 Kv7 钾通道激活有反应的疾病的用途。
• ALCOHOL DERIVATIVES AS KV7 POTASSIUM CHANNEL OPENERS FOR USE IN EPILEPSY OR SEIZURES
  申请人：H. Lundbeck A/S

  公开号：EP4007571A1

  公开（公告）日：2022-06-08