1-(bromomethyl)-4-(4-chlorophenoxy)benzene | 127776-17-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(bromomethyl)-4-(4-chlorophenoxy)benzene
• CAS: 127776-17-4
• 化学式: C₁₃H₁₀BrClO
• 分子量: 297.579
• InChiKey: USGQHBCQDSFKGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  16
• 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：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(bromomethyl)-4-(4-chlorophenoxy)benzene 在 potassium carbonate 、 lithium hexamethyldisilazane 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 反应 1.34h， 生成 ethyl 1-[[4-(4-chlorophenoxy)phenyl]methyl]-3,3-dimethyl-2-oxocyclopentanecarboxylate
  参考文献：
  名称：

  [EN] FUNGICIDAL IMIDAZOLYL AND TRIAZOLYL COMPOUNDS
  [FR] COMPOSÉS D'IMIDAZOLYLE ET TRIAZOLYLE FONGICIDES

  摘要：

  本发明涉及杀菌咪唑和三唑基化合物(I)，包括它们的农药组合物，以及用于防治植物病原真菌的方法。本发明还涉及至少一种这种化合物处理的种子。此外，本发明还涉及制备式(I)化合物的过程，以及在反应序列中获得的特定中间体。

  公开号：

  WO2014095249A1
• 作为产物：
  描述：

  4-(4-氯苯氧基)苯甲醇 在 三溴化磷 作用下， 以 二氯甲烷 为溶剂， 反应 12.5h， 以41%的产率得到1-(bromomethyl)-4-(4-chlorophenoxy)benzene
  参考文献：
  名称：

  Design, synthesis, and evaluation of compounds capable of reducing Pseudomonas aeruginosa virulence

  摘要：

  Anti-virulence approaches in the treatment of Pseudomonas aeruginosa (PA)-induced infections have shown clinical potential in multiple in vitro and in vivo studies. However, development of these compounds is limited by several factors, including the lack of molecules capable of penetrating the membrane of gram-negative organisms. Here, we report the identification of novel structurally diverse compounds that inhibit PqsR and LasR-based signaling and diminish virulence factor production and biofilm growth in two clinically relevant strains of P. aeruginosa. It is the first report where potential antivirulent agents were evaluated for inhibition of several virulence factors of PA. Finally, co-treatment with these inhibitors significantly reduced the production of virulence factors induced by the presence of subinhibitory levels of ciprofioxacin. Further, we have analyzed the drug-likeness profile of designed compounds using quantitative estimates of drug-likeness (QED) and confirmed their potential as hit molecules for further development. Published by Elsevier Masson SAS.

  DOI：

  10.1016/j.ejmech.2019.111800

文献信息

• Pesticide composition comprising malononitrile compounds
  申请人：——

  公开号：US20040142821A1

  公开（公告）日：2004-07-22

  The present invention relates to use of malononitrile compounds of formula (X): 1 wherein R 1 and R 2 are the same or different and independently C 1 -C 5 (halo)-alkyl, C 1 -C 5 (halo)alkyloxy, C 2 -C 5 (halo)alkenyl, C 2 -C 5 (halo)alkynyl, hydrogen, or cyano; R 3 and R 4 are the same or different and independently C 1 -C 10 alkyl, C 2 -C 10 alkenyl, C 2 -C 10 alkynyl, or hydrogen, or R 3 and R 4 are taken together to form C 2 -C 6 (halo)alkylene or C 4 -C 6 (halo)alkenylene; R 5 is halogen, cyano, nitro, C 1 -C 4 (halo)alkyl, or the like; n is an integer of 0 to 4; R 6 is halogen, cyano, nitro, C 1 -C 4 (halo)alkyl, or the like; or R 5 and R 6 are taken together to form methylenedioxy; with the provisos that when R 6 is hydrogen, then n is an integer of 1 to 4 and that when n is 2 or more, then R 5 's are different from each other; as pesticides, and to pesticide compositions containing these compounds as active ingredients. The present invention makes it possible to effectively control pests such as insect pests, acarine pests, and nematode pests.

  本发明涉及使用式（X）的丙二腈化合物：其中R1和R2相同或不同且独立地为C1-C5（卤）烷基，C1-C5（卤）烷氧基，C2-C5（卤）烯基，C2-C5（卤）炔基，氢或氰基；R3和R4相同或不同且独立地为C1-C10烷基，C2-C10烯基，C2-C10炔基或氢，或者R3和R4结合形成C2-C6（卤）烷基或C4-C6（卤）烯基；R5为卤素，氰基，硝基，C1-C4（卤）烷基或类似物；n为0至4的整数；R6为卤素，氰基，硝基，C1-C4（卤）烷基或类似物；或者R5和R6结合形成亚甲二氧基；但当R6为氢时，n为1至4的整数，且当n为2或更多时，R5不相同；作为杀虫剂，以及含有这些化合物作为活性成分的杀虫剂组合物。本发明使得能够有效地控制害虫，例如昆虫害虫，螨虫害虫和线虫害虫。
• EP1385377A1
  申请人：——

  公开号：EP1385377A1

  公开（公告）日：2004-02-04
• [EN] PESTICIDE COMPOSITION COMPRISING MALONONITRILE COMPOUNDS<br/>[FR] COMPOSITION PESTICIDE COMPRENANT DES COMPOSES DE MALONONITRILE
  申请人：SUMITOMO CHEMICAL CO

  公开号：WO2002089579A1

  公开（公告）日：2002-11-14

  The present invention relates to use of malononitrile compounds of formula (X): wherein R1 and R2 are the same or different and independently C1-C5 (halo)alkyl, C1-C5 (halo)alkyloxy, C2-C5 (halo)alkenyl, C2-C5 (halo)alkynyl, hydrogen, or cyano; R¿3? and R4 are the same or different and independently C?1-C10¿ alkyl, C2-C10 alkenyl, C2-C10 alkynyl, or hydrogen, or R¿3? and R4 are taken together to form C?2-C6¿ (halo)alkylene or C4-C6 (halo)alkenylene; R¿5? is halogen, cyano, nitro, C?1-C4¿ (halo)alkyl, or the like; n is an integer of 0 to 4; R¿6? is halogen, cyano, nitro, C?1-C4¿ (halo)alkyl, or the like; or R¿5? and R6 are taken together to form methylenedioxy; with the provisos that when R6 is hydrogen, then n is an integer of 1 to 4 and that when n is 2 or more, then R5's are different from each other; as pesticides, and to pesticide compositions containing these compounds as active ingredients. The present invention makes it possible to effectively control pests such as insect pests, acarine pests, and nematode pests.
• Design, synthesis, and evaluation of compounds capable of reducing Pseudomonas aeruginosa virulence
  作者：Mohammad Anwar Hossain、Narsimha Sattenapally、Hardik I. Parikh、Wei Li、Kendra P. Rumbaugh、Nadezhda A. German

  DOI：10.1016/j.ejmech.2019.111800

  日期：2020.1

  Anti-virulence approaches in the treatment of Pseudomonas aeruginosa (PA)-induced infections have shown clinical potential in multiple in vitro and in vivo studies. However, development of these compounds is limited by several factors, including the lack of molecules capable of penetrating the membrane of gram-negative organisms. Here, we report the identification of novel structurally diverse compounds that inhibit PqsR and LasR-based signaling and diminish virulence factor production and biofilm growth in two clinically relevant strains of P. aeruginosa. It is the first report where potential antivirulent agents were evaluated for inhibition of several virulence factors of PA. Finally, co-treatment with these inhibitors significantly reduced the production of virulence factors induced by the presence of subinhibitory levels of ciprofioxacin. Further, we have analyzed the drug-likeness profile of designed compounds using quantitative estimates of drug-likeness (QED) and confirmed their potential as hit molecules for further development. Published by Elsevier Masson SAS.
• [EN] FUNGICIDAL IMIDAZOLYL AND TRIAZOLYL COMPOUNDS<br/>[FR] COMPOSÉS D'IMIDAZOLYLE ET TRIAZOLYLE FONGICIDES
  申请人：BASF SE

  公开号：WO2014095249A1

  公开（公告）日：2014-06-26

  The present invention relates to fungicidal imidazolyland triazolyl compounds (I), agrochemical compositions comprising them, to their use and to methods for combating phytopathogenic fungi. The present invention also relatesto seeds treated with at least one such compound. Furthermore the invention relates to processes for preparing compounds of formula (I) as well asto specific intermediates that are obtained during the reaction sequence.

  本发明涉及杀菌咪唑和三唑基化合物(I)，包括它们的农药组合物，以及用于防治植物病原真菌的方法。本发明还涉及至少一种这种化合物处理的种子。此外，本发明还涉及制备式(I)化合物的过程，以及在反应序列中获得的特定中间体。