ethyl 2-((4-(3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)phenoxy)(ethyl)methyl)acrylate | 950994-12-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: ethyl 2-((4-(3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)phenoxy)(ethyl)methyl)acrylate
• 英文别名: Ethyl 3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]-2-methylidenepentanoate
• CAS: 950994-12-4
• 化学式: C₂₀H₁₉ClF₃NO₄
• 分子量: 429.823
• InChiKey: GSNSNZWZILCFBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  29
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  57.6
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-(4'-羟基苯氧基)-3-氯-5-三氟甲基吡啶 、 ethyl (Z)-2-(bromomethyl)pent-2-enoate 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 8.25h， 以54%的产率得到ethyl 2-((4-(3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)phenoxy)(ethyl)methyl)acrylate
  参考文献：
  名称：

  Synthesis and bioactivity of novel (3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)phenyl containing acrylate and acrylonitrile derivatives

  摘要：

  Fifteen novel (3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)phenyl containing Baylis-Hillman adduct derivatives were designed and synthesized. Evaluation of their biological activities showed that methyl 2-((3-(3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)phenoxy)(phenyl)methy-l)acrylate (2g) exhibited efficient broad-spectrum fungicidal activity, with 100% control of wheat powdery mildew and cucumber downy mildew and 98% control of cucumber anthracnose at 400 g ai/ha. Some of the other title compounds 2, 3 and two Baylis-Hillman bromide intermediates (11a, 11b) had moderate to good fungicidal activity. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2006.07.011

文献信息

• Synthesis and bioactivity of novel (3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)phenyl containing acrylate and acrylonitrile derivatives
  作者：Chun-Rui Yu、Long-He Xu、Song Tu、Zhi-Nian Li、Bin Li

  DOI：10.1016/j.jfluchem.2006.07.011

  日期：2006.12

  Fifteen novel (3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)phenyl containing Baylis-Hillman adduct derivatives were designed and synthesized. Evaluation of their biological activities showed that methyl 2-((3-(3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)phenoxy)(phenyl)methy-l)acrylate (2g) exhibited efficient broad-spectrum fungicidal activity, with 100% control of wheat powdery mildew and cucumber downy mildew and 98% control of cucumber anthracnose at 400 g ai/ha. Some of the other title compounds 2, 3 and two Baylis-Hillman bromide intermediates (11a, 11b) had moderate to good fungicidal activity. (c) 2006 Elsevier B.V. All rights reserved.