(1Z)-N-benzyl-N'-hydroxyethanimidamide | 99362-11-5

• 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: (1Z)-N-benzyl-N'-hydroxyethanimidamide
• 英文别名: (Z)-N-benzyl-N'-hydroxyethenimidamide；N'-benzyl-N-hydroxyethanimidamide
• CAS: 99362-11-5
• 化学式: C₉H₁₂N₂O
• 分子量: 164.207
• InChiKey: GNRNYHZASKEWRQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  44.6
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  丙炔酸甲酯 、 (1Z)-N-benzyl-N'-hydroxyethanimidamide 以 甲醇 、 二苯醚 为溶剂， 反应 5.33h， 生成 methyl 1-benzyl-2-methyl-1H-imidazole-4-carboxylate
  参考文献：
  名称：

  [EN] HETEROARYL INHIBITORS OF PAD4
  [FR] INHIBITEURS HÉTÉROARYLES DE PAD4

  摘要：

  本发明提供了作为PAD4抑制剂有用的化合物，其组成物，以及治疗PAD4相关疾病的方法。

  公开号：

  WO2017147102A1
• 作为产物：
  描述：

  4-苄基-3-甲基-1,2,4-恶二唑-5-酮 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 3.0h， 以61%的产率得到(1Z)-N-benzyl-N'-hydroxyethanimidamide
  参考文献：
  名称：

  3-Methyl-4H-[1,2,4]-oxadiazol-5-one: a versatile synthon for protecting monosubstituted acetamidines

  摘要：

  The utilization of 3-methyl-4H-[1,2,4]-oxadiazol-5-one as a versatile protected acetamidine is demonstrated through employment in a variety of synthetic sequences. The potassium salt (2a) or the neutral form (2b) is alternatively shown to be superior for various synthetic reactions (i.e., alkylation, Michael addition, Mitsunobu) to incorporate side chains for further synthesis. The 3-methyl-4H-[1,2,4]-oxadiazol-5-one moiety was found to be stable to acid or base under non-aqueous conditions. It was also found to be stable to many reagents commonly used for organic synthesis. Despite this stability, the free acetamidine may be released by mild reduction including Lindlar hydrogenation or dissolving metal reductions. Alternatively, the hydroxyl amidine may be formed via alkaline hydrolysis. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2004.09.030

文献信息

• Oxadiazole compound and use thereof as pesticides
  申请人：Sumitomo Chemical Company, Limited

  公开号：US10980233B2

  公开（公告）日：2021-04-20

  Provided is a compound having excellent control efficacies against pests. Specifically, a compound represented by formula (I) is provided: In the compound represented by formula (I), G represents a benzene ring or pyridine ring, etc.; A represents a hydrogen atom or a C1-C6 alkyl group, etc.; m represents 0, 1, 2, or 3; RX1 represents a hydrogen atom, etc.; RX2 represents a hydrogen atom, etc.; E represents a OR3, etc.; and R3 represents a hydrogen atom or a C1-C6 alkyl group, etc. The compound represented by formula (I) has excellent control efficacies against pests.

  本发明提供了一种对害虫具有优异防治效果的化合物。具体而言，提供了一种由式（I）代表的化合物： 在式 (I) 所代表的化合物中，G 代表苯环或吡啶环等；A 代表氢原子或 C1-C6 烷基等；m 代表 0、1、2 或 3；RX1 代表氢原子等；RX2 代表氢原子等；E 代表 OR3 等；R3 代表氢原子或 C1-C6 烷基等。式（I）所代表的化合物对害虫具有优异的防治效果。
• Heteroaryl inhibitors of PAD4
  申请人：Padlock Therapeutics, Inc.

  公开号：US11198681B2

  公开（公告）日：2021-12-14

  The present invention provides compounds useful as inhibitors of PAD4, compositions thereof, and methods of treating PAD4-related disorders.

  本发明提供了可用作 PAD4 抑制剂的化合物、其组合物以及治疗 PAD4 相关疾病的方法。
• OXADIAZOLE COMPOUND AND USE THEREOF AS PESTICIDES
  申请人：Sumitomo Chemical Company, Limited

  公开号：US20190230928A1

  公开（公告）日：2019-08-01

  Provided is a compound having excellent control efficacies against pests. Specifically, a compound represented by formula (I) is provided: In the compound represented by formula (I), G represents a benzene ring or pyridine ring, etc.; A represents a hydrogen atom or a C1-C6 alkyl group, etc.; m represents 0, 1, 2, or 3; R X1 represents a hydrogen atom, etc.; R X2 represents a hydrogen atom, etc.; E represents a OR 3 , etc.; and R 3 represents a hydrogen atom or a C1-C6 alkyl group, etc. The compound represented by formula (I) has excellent control efficacies against pests.
• HETEROARYL INHIBITORS OF PAD4
  申请人：Padlock Therapeutics, Inc.

  公开号：US20210188810A1

  公开（公告）日：2021-06-24

  The present invention provides compounds useful as inhibitors of PAD4, compositions thereof, and methods of treating PAD4-related disorders.