甲萘威-D7 | 362049-56-7

• 物质功能分类: 化学农药原药 - 杀虫剂 - 氨基甲酸酯杀虫剂
• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 甲萘威-D7
• 中文别名: 甲萘威
• 英文名称: 1-naphthyl-d7 N-methylcarbamate
• 英文别名: Carbaryl-d7；(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl) N-methylcarbamate
• CAS: 362049-56-7
• 化学式: C₁₂H₁₁NO₂
• 分子量: 208.169
• InChiKey: CVXBEEMKQHEXEN-CFWCETGYSA-N

物化性质

• 熔点：
  1420C
• 溶解度：
  可溶于氯仿（少许）、乙酸乙酯（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  萘酚 在 platinum on activated charcoal 氢气 、 重水 作用下， 反应 34.0h， 生成 甲萘威-D7
  参考文献：
  名称：

  Aromatic ring favorable and efficient H–D exchange reaction catalyzed by Pt/C

  摘要：

  An effective and applicable Pt/C-catalyzed deuteration method of aromatic rings using D2O as a deuterium source under hydrogen atmosphere was developed. Five percent Pt/C would lead to quite effective H-D exchange results on the aromatic ring systems. The reaction is general for a variety of aromatic compounds including biologically active compounds. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.08.067

文献信息

• Efficient and Selective Pt/C-Catalyzed H–D Exchange Reaction of Aromatic Rings
  作者：Nobuhiro Ito、Hiroyoshi Esaki、Tsuneaki Maesawa、Eikoh Imamiya、Tomohiro Maegawa、Hironao Sajiki

  DOI：10.1246/bcsj.81.278

  日期：2008.2.15

  An effective and applicable deuteration method for aromatic rings using Pt/C–D2O–H2 system was established. Especially, phenol was fully deuterated even at room temperature, and other electron-rich aromatic nuclei were efficiently deuterated under mild conditions. The scope and limitations of the presence method and its application to the synthesis of deuterium-labeled biologically active compounds and deuterium-labeled building blocks for practical multi-gram scale syntheses are reported.

  建立了一种使用Pt/C–D2O–H2系统对芳香环进行有效且适用的氘化方法。特别是在室温下，苯酚被完全氘化，而其他富电子的芳香核在温和条件下被高效氘化。报道了该方法的存在范围和局限性，以及其在合成氘标记生物活性化合物和实用多克级合成中的氘标记构建模块中的应用。
• Aromatic ring favorable and efficient H–D exchange reaction catalyzed by Pt/C
  作者：Hironao Sajiki、Nobuhiro Ito、Hiroyoshi Esaki、Tsuneaki Maesawa、Tomohiro Maegawa、Kosaku Hirota

  DOI：10.1016/j.tetlet.2005.08.067

  日期：2005.10

  An effective and applicable Pt/C-catalyzed deuteration method of aromatic rings using D2O as a deuterium source under hydrogen atmosphere was developed. Five percent Pt/C would lead to quite effective H-D exchange results on the aromatic ring systems. The reaction is general for a variety of aromatic compounds including biologically active compounds. (c) 2005 Elsevier Ltd. All rights reserved.