(E)-ethoxyethyl 2-cyano-3-methylthio-3-(4-(2-chlorothiazol-5-ylmethoxy)benzylamino)acrylate | 1234624-01-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (E)-ethoxyethyl 2-cyano-3-methylthio-3-(4-(2-chlorothiazol-5-ylmethoxy)benzylamino)acrylate
• 英文别名: 2-ethoxyethyl (E)-3-[[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]methylamino]-2-cyano-3-methylsulfanylprop-2-enoate
• CAS: 1234624-01-1
• 化学式: C₂₀H₂₂ClN₃O₄S₂
• 分子量: 467.997
• InChiKey: APNFKNQTEFRKAV-ISLYRVAYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  30
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  147
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  4-((2-chlorothiazol-5-yl)methoxy)benzylamine 、 2-cyano-3,3-dimethylthioacrylate 以 乙醇 为溶剂， 反应 3.0h， 生成 (E)-ethoxyethyl 2-cyano-3-methylthio-3-(4-(2-chlorothiazol-5-ylmethoxy)benzylamino)acrylate
  参考文献：
  名称：

  Synthesis and herbicidal activities of 2-cyano-3-benzylaminoacrylates containing thiazole moiety

  摘要：

  Two series of novel 2-cyano-3-benzylaminoacrylates containing long-chain thiazole ring moiety were synthesized as herbicidal inhibitors of photosystem II (PS II) electron transportation. Their structures were confirmed by (1)H NMR and elemental analysis. The bioassay showed that these compounds retain high herbicidal activities and especially compounds 13a and 13h have excellent herbicidal activities. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.027

文献信息

• Synthesis and herbicidal activities of 2-cyano-3-benzylaminoacrylates containing thiazole moiety
  作者：Tingting Wang、Guifang Bing、Xin Zhang、Zhenfang Qin、Haibo Yu、Xue Qin、Hong Dai、Wenke Miao、Shanshan Wu、Jianxin Fang

  DOI：10.1016/j.bmcl.2010.04.027

  日期：2010.6

  Two series of novel 2-cyano-3-benzylaminoacrylates containing long-chain thiazole ring moiety were synthesized as herbicidal inhibitors of photosystem II (PS II) electron transportation. Their structures were confirmed by (1)H NMR and elemental analysis. The bioassay showed that these compounds retain high herbicidal activities and especially compounds 13a and 13h have excellent herbicidal activities. (C) 2010 Elsevier Ltd. All rights reserved.