N,N-diethyl-3,3,3-trifluoropropionamide | 124397-92-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N,N-diethyl-3,3,3-trifluoropropionamide
• 英文别名: N,N-Diethyl-3,3,3-trifluoropropanamide
• CAS: 124397-92-8
• 化学式: C₇H₁₂F₃NO
• 分子量: 183.174
• InChiKey: HEELAURFSABMDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N,N-二乙基-2-溴乙酰胺 、 氟磺酰基二氟乙酸甲酯 在 copper(l) iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以90%的产率得到N,N-diethyl-3,3,3-trifluoropropionamide
  参考文献：
  名称：

  氟磺酰基二氟乙酸甲酯；一种新的三氟甲基化剂

  摘要：

  在碘化铜（I）存在下，氟磺酰基二氟乙酸甲酯被用作三氟甲基的来源，该三氟甲基取代了芳基，烯基和卤代烷中的卤素。

  DOI：

  10.1039/c39890000705

文献信息

• Methyl fluorosulphonyldifluoroacetate; a new trifluoromethylating agent
  作者：Qing-Yun Chen、Sheng-Wen Wu

  DOI：10.1039/c39890000705

  日期：——

  Methyl fluorosulphonyldifluoroacetate, in the presence of copper(I) iodide, is used as the source of trifluoromethyl group which replaces the halogen in aryl, alkenyl, and alkyl halides.

  在碘化铜（I）存在下，氟磺酰基二氟乙酸甲酯被用作三氟甲基的来源，该三氟甲基取代了芳基，烯基和卤代烷中的卤素。
• 1,1,3,3,3-Pentafluoropropene secondary amine adducts new selective fluorinating agents
  作者：Henryk Koroniak、Justyna Walkowiak、Krzysztof Grys、Andrzej Rajchel、Adam Alty、Rick Du Boisson

  DOI：10.1016/j.jfluchem.2006.07.006

  日期：2006.9

  of two products (1-dialkylamine-1,3,3,3-tetrafluoropropene and N,N-dialkyl-1,1,3,3,3-pentafluoropropylamine) in different ratios. Those reaction mixtures, however, were found to be efficient fluorinating agents replacing hydroxyl groups in alcohols into fluorine. In general, they react with alcohols yielding corresponding fluorides, equimolar amounts of appropriate 3,3,3-trifluoropropionamide and hydrogen

  在五氟丙烯PFP中添加仲胺SA（二甲胺DMA，二乙胺DEA，吡咯烷Pyr，哌啶Pip，吗啉Mor）会产生两种产物（1-二烷基胺-1,3,3,3-四氟丙烯和N的混合物）ñ-二烷基-1,1,3,3,3-五氟丙胺）的比例不同。然而，发现那些反应混合物是将醇中的羟基取代为氟的有效氟化剂。通常，它们与醇反应产生相应的氟化物，等摩尔量的适当的3,3,3-三氟丙酰胺和氟化氢。包括辛醇和苄醇的脂肪族伯醇仅产生烷基氟化物。除了所需的氟化物外，仲醇和叔醇通常还会产生大量的烯烃。
• TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALT, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING THE SAME
  申请人：Shibata Norio

  公开号：US20120130090A1

  公开（公告）日：2012-05-24

  A trifluoromethylthiophenium derivative salt useful as synthetic intermediates for pharmaceuticals and agrochemicals, a method for producing the same, and a method for producing trifluoromethyl-containing compounds using the same are provided. An S-(trifluoromethyl)-benzo[b]thiophenium derivative salt is represented by the following general formula (1): wherein R 1 , R 2 , R 3 , and R 4 are each independently a hydrogen atom, a methyl group, an ethyl group, a linear, branched, or cyclic alkyl group having 3 to 10 carbon atoms, a methoxy group, an ethoxy group, a linear, branched, or cyclic alkyloxy group having 3 to 10 carbon atoms, a fluorine atom, a chlorine atom, a bromine atom, a nitro group, or a cyano group, R 5 is a methyl group, an ethyl group, a linear, branched, or cyclic alkyl group having 3 to 10 carbon atoms, a phenyl group, or a substituted phenyl group, and X − represents an anion. Various trifluoromethyl-containing compounds are produced using a method for producing the S-(trifluoromethyl)-benzo[b]thiophenium derivative salt, and using the S-(trifluoromethyl)-benzo[b]thiophenium derivative salt as a trifluoromethylating agent.

  本发明提供一种三氟甲基噻吩盐衍生物，可用作制药和农药的合成中间体，以及其制备方法和使用该盐衍生物制备含三氟甲基化合物的方法。S-(三氟甲基)-苯并[b]噻吩盐衍生物由下列普通式（1）表示：其中，R1、R2、R3和R4各自独立地是氢原子、甲基基团、乙基基团、具有3至10个碳原子的线性、支链或环烷基基团、甲氧基基团、乙氧基基团、具有3至10个碳原子的线性、支链或环烷氧基基团、氟原子、氯原子、溴原子、硝基或氰基，R5是甲基基团、乙基基团、具有3至10个碳原子的线性、支链或环烷基基团、苯基或取代苯基，X-表示阴离子。使用制备S-(三氟甲基)-苯并[b]噻吩盐衍生物的方法以及使用S-(三氟甲基)-苯并[b]噻吩盐衍生物作为三氟甲基化试剂可以制备各种三氟甲基含量的化合物。
• TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALTS, PROCESS FOR PRODUCITON THEREOF, AND PROCESS FOR PRODUCTION OF TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING SAME
  申请人：Nagoya Institute of Technology

  公开号：EP2460802A1

  公开（公告）日：2012-06-06

  A trifluoromethylthiophenium derivative salt useful as synthetic intermediates for pharmaceuticals and agrochemicals, a method for producing the same, and a method for producing trifluoromethyl-containing compounds using the same are provided. An S-(trifluoromethyl)-benzo[b]thiophenium derivative salt is represented by the following general formula (1): wherein R1, R2, R3, and R4 are each independently a hydrogen atom, a methyl group, an ethyl group, a linear, branched, or cyclic alkyl group having 3 to 10 carbon atoms, a methoxy group, an ethoxy group, a linear, branched, or cyclic alkyloxy group having 3 to 10 carbon atoms, a fluorine atom, a chlorine atom, a bromine atom, a nitro group, or a cyano group, R5 is a methyl group, an ethyl group, a linear, branched, or cyclic alkyl group having 3 to 10 carbon atoms, a phenyl group, or a substituted phenyl group, and X- represents an anion. Various trifluoromethyl-containing compounds are produced using a method for producing the S-(trifluoromethyl)-benzo[b]thiophenium derivative salt, and using the S-(trifluoromethyl)-benzo[b]thiophenium derivative salt as a trifluoromethylating agent.

  本发明提供了一种可用作医药和农用化学品合成中间体的三氟甲基噻吩衍生物盐、生产该衍生物盐的方法以及使用该衍生物盐生产含三氟甲基化合物的方法。一种 S-(三氟甲基)-苯并[b]噻吩衍生物盐由以下通式(1)表示： 其中 R1、R2、R3 和 R4 各自独立地为氢原子、甲基、乙基、具有 3 至 10 个碳原子的直链、支链或环状烷基、甲氧基、乙氧基、具有 3 至 10 个碳原子的直链、支链或环状烷氧基、氟原子、氯原子、溴原子、硝基或氰基，R5 是甲基、乙基、具有 3 至 10 个碳原子的直链、支链或环状烷基、苯基或取代苯基，X- 代表阴离子。使用生产 S-(三氟甲基)-苯并[b]噻吩衍生物盐的方法，并使用 S-(三氟甲基)-苯并[b]噻吩衍生物盐作为三氟甲基化剂，可生产出各种含三氟甲基的化合物。
• JP6041643
  申请人：——

  公开号：——

  公开（公告）日：——