1-(二氟甲氧基)-3-异氰酸苯酯 | 39139-35-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1-(二氟甲氧基)-3-异氰酸苯酯
• 英文名称: 3-Difluormethoxy-phenylisocyanat
• 英文别名: 1-(Difluoromethoxy)-3-isocyanatobenzene
• CAS: 39139-35-0
• 化学式: C₈H₅F₂NO₂
• mdl: MFCD08444549
• 分子量: 185.13
• InChiKey: WCNRANVVUWBYON-UHFFFAOYSA-N

物化性质

• 沸点：
  221.7±35.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2929109000

反应信息

• 作为反应物：
  描述：

  2-3,5-二氟苯乙胺 、 1-(二氟甲氧基)-3-异氰酸苯酯 在 肼 作用下， 以 二氯甲烷 为溶剂， 反应 3.5h， 生成 N-(3-(difluoromethoxy)phenyl)-N'-[2-(3,5-difluorophenyl)ethyl]urea
  参考文献：
  名称：

  WO2006/52542

  摘要：

  公开号：

文献信息

• NOVEL HETEROCYCLYL COMPOUNDS
  申请人：Aebi Johannes

  公开号：US20100016282A1

  公开（公告）日：2010-01-21

  The invention is concerned with novel heterocyclyl compounds of formula (I) wherein A, X, Y 1 , Y 2 , Y 3 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , m, n and p are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds are antagonists of CCR2 receptor, CCR5 receptor and/or CCR3 receptor and can be used as medicaments.

  该发明涉及式(I)的新异环丙基化合物，其中A、X、Y1、Y2、Y3、R3、R4、R5、R6、R7、R8、R9、R10、m、n和p的定义如描述和索赔中所述，并且其生理上可接受的盐。这些化合物是CCR2受体、CCR5受体和/或CCR3受体的拮抗剂，可以用作药物。
• Synthesis and Nematocidal Activity of Novel Pyrazole Carboxamide Derivatives Against Meloidogyne incognita
  作者：Wen Zhao、Zhong-Hua Shen、Jia-Hua Xing、Tian-Ming Xu、Wei-Li Peng、Xing-Hai Liu

  DOI：10.2174/1570180813666160930164327

  日期：2017.1.26

  Background: A series of novel 2,6-dichloro-4-(trifluoromethyl)phenyl)-3-(trifluoromethyl) - 1H-pyrazole-4-carboxamide derivatives were designed and synthesized. Method: All the title compounds were confirmed by 1H NMR and MS. Results: The primarily nematicidal activity results indicated that some of them exhibited moderate control efficacy against the tomato root-knot nematode disease caused by Meloidogyne

  背景：设计并合成了一系列新颖的2,6-二氯-4-（三氟甲基）苯基）-3-（三氟甲基）-1H-吡唑-4-羧酰胺衍生物。 方法：所有标题化合物均经1 H NMR和MS确证。 结果：主要杀线虫活性结果表明，其中一些对由南方根结线虫引起的番茄根结线虫病表现出中等控制效果。
• Synthesis, Nematicidal Activity and Docking Study of Novel Pyrazole-4-Carboxamide Derivatives Against Meloidogyne incognita
  作者：Long Cheng、Wen Zhao、Zhong-Hua Shen、Tian-Ming Xu、Hong-Ke Wu、Wei-Li Peng、Xing-Hai Liu

  DOI：10.2174/1570180815666180326150827

  日期：2018.11.1

  A series of novel 2,6-dichloro-4-(trifluoromethyl)phenyl)-3-(difluoromethyl)- 1H-pyrazole-4-carboxamide derivatives were designed and synthesized.

  All the title compounds were confirmed by 1H NMR and MS.

  The primarily nematicidal activity results indicated that some of them exhibited moderate control efficacy against the tomato root-knot nematode disease caused by Meloidogyne incognita.

  背景：设计并合成了一系列新颖的2,6-二氯-4-(三氟甲基)苯基)-3-(二氟甲基)-1H-吡唑-4-甲酰胺衍生物。 方法：所有标题化合物均通过1H NMR和MS得到确认。 结果和结论：初步的线虫杀灭活性结果表明，其中一些化合物对由根结线虫Meloidogyne incognita引起的番茄根结线虫病表现出了中等的控制效果。
• Synthesis and nematocidal activity of novel 1-(3-chloropyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide derivatives
  作者：Wen Zhao、Zhong-Hua Shen、Jia-Hua Xing、Guo Yang、Tian-Ming Xu、Wei-Li Peng、Xing-Hai Liu

  DOI：10.1007/s11696-016-0012-8

  日期：2017.5

  A series of novel fluorinated pyrazole carboxamides derivatives were designed and synthesized. All these title compounds were confirmed by NMR, MS and elemental analysis. The primary nematicidal activity results indicated that some of them (compound 5b, 5e, 5r and 5s) exhibited 100% efficacy against the tomato root-knot nematode disease caused by Meloidogyne incognita. The docking results indicated

  设计并合成了一系列新颖的氟化吡唑羧酰胺衍生物。所有这些标题化合物均通过NMR，MS和元素分析证实。主要杀线虫活性结果表明，其中一些化合物（化合物5b，5e，5r和5s）对由南方根结线虫引起的番茄根结线虫病表现出100％的功效。对接结果表明，化合物5r通过氢键与AchE的氨基酸残基Tyr 121相互作用，并通过CH-π相互作用与AchE的Phe288相互作用。
• Arylalkyl Ureas As Cb1 Antagonists
  申请人：Hutchison J. Alan

  公开号：US20080009477A1

  公开（公告）日：2008-01-10

  CB1 antagonists are provided. Such compounds may be used to modulate CB1 activity in vivo or in vitro, and are particularly useful in the treatment of conditions responsive to CB1 receptor modulation in humans, domesticated companion animals and livestock animals, including appetite disorders, obesity and addictive disorders. Pharmaceutical compositions and methods for using them to treat such disorders are provided, as are methods for using ligands for receptor localization studies and various in vitro assays.

  提供CB1拮抗剂。这些化合物可以用于体内或体外调节CB1活性，并且在治疗人类、家养伴侣动物和家畜动物对CB1受体调节有反应的疾病，包括食欲失调、肥胖和成瘾性疾病方面特别有用。提供了用于治疗这些疾病的制药组合物和方法，以及用于受体定位研究和各种体外测定的配体使用方法。