| 1206782-15-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• CAS: 1206782-15-1
• 化学式: C₁₁H₁₇NO₄
• 分子量: 227.26
• InChiKey: QBMZVSSXUWWZNV-KTKRTIGZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.26
• 重原子数：
  16.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  68.55
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  、 4-((2-chlorothiazol-5-yl)methoxy)benzylamine 以 乙醇 为溶剂， 反应 3.0h， 生成 (Z)-ethoxymethyl 2-cyano-3-isopropyl-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
• 作为产物：
  描述：

  重氮甲烷 、 以 乙醚 为溶剂， 反应 12.0h， 生成
  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