(Z)-3-(4-(3-氯-5-(三氟甲基)吡啶-2-氧基)苯基)-2-(溴甲基)丙烯腈 | 1027398-05-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: (Z)-3-(4-(3-氯-5-(三氟甲基)吡啶-2-氧基)苯基)-2-(溴甲基)丙烯腈
• 英文名称: (Z)-3-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)phenyl)-2-(bromomethyl)acrylonitrile
• 英文别名: (Z)-2-(bromomethyl)-3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]prop-2-enenitrile
• CAS: 1027398-05-5
• 化学式: C₁₆H₉BrClF₃N₂O
• 分子量: 417.612
• InChiKey: SGFDNGZJWGPGJW-VZUCSPMQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  45.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (Z)-3-(4-(3-氯-5-(三氟甲基)吡啶-2-氧基)苯基)-2-(溴甲基)丙烯腈 、 苯酚 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 8.25h， 以71%的产率得到2-((4-(3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)phenyl)(phenoxy)methyl)acrylonitrile
  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
• 作为产物：
  描述：

  2-((4-(3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)phenyl)(hydroxy)methyl)acrylonitrile 在 三溴化磷 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以92%的产率得到(Z)-3-(4-(3-氯-5-(三氟甲基)吡啶-2-氧基)苯基)-2-(溴甲基)丙烯腈
  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.