3-(3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)benzaldehyde | 950994-20-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)benzaldehyde
• 英文别名: 3-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}benzaldehyde；3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxybenzaldehyde
• CAS: 950994-20-4
• 化学式: C₁₃H₇ClF₃NO₂
• 分子量: 301.652
• InChiKey: KBWGSVJVHNZPDJ-UHFFFAOYSA-N

物化性质

• 熔点：
  110-112 °C
• 沸点：
  353.0±42.0 °C(Predicted)
• 密度：
  1.433±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-(3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)benzaldehyde 、 丙烯腈 在 三甲胺 作用下， 以 甲醇 为溶剂， 反应 96.0h， 以73%的产率得到2-((3-(3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)phenyl)(hydroxy)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：

  2,3-二氯-5-三氟甲基吡啶 、 间羟基苯甲醛 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 5.0h， 以78%的产率得到3-(3-chloro-5-(trifluoromethyl)pyridin-2-yloxy)benzaldehyde
  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.