(E)-N-methyl-2-methyl-2-butenamide | 1187-41-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (E)-N-methyl-2-methyl-2-butenamide
• 英文别名: (E)-N,2-dimethyl-2-butenamide；(E)-N,2-dimethylbut-2-enamide；N,2-dimethyl-2-(E)-butenamide
• CAS: 1187-41-3
• 化学式: C₆H₁₁NO
• 分子量: 113.159
• InChiKey: MREZLUJXFNFQIH-SNAWJCMRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2924199090

反应信息

• 作为反应物：
  描述：

  (E)-N-methyl-2-methyl-2-butenamide 在 氘代甲醇-d 、 四甲基乙二胺 、 仲丁基锂 作用下， 生成 (E)-2-(deuteriomethyl)-N-methylbut-2-enamide 、 3-deuterio-N-methyl-2-methylidenebutanamide
  参考文献：
  名称：

  .beta.'-Lithiation of .alpha.,.beta.-unsaturated secondary amides

  摘要：

  DOI：

  10.1021/ja00533a056
• 作为产物：
  描述：

  惕格酸 在 氯化亚砜 作用下， 以 水 为溶剂， 生成 (E)-N-methyl-2-methyl-2-butenamide
  参考文献：
  名称：

  .beta。α，β-不饱和酰胺的锂化

  摘要：

  La 锂化 est realisee par le sec-丁基/Li dans la N,N,N',N'-四甲基乙二胺

  DOI：

  10.1021/ja00302a024

文献信息

• ALGORITHM FOR DESIGNING IRREVERSIBLE INHIBITORS
  申请人：Singh Juswinder

  公开号：US20100185419A1

  公开（公告）日：2010-07-22

  The invention is an algorithm and method for designing an inhibitor that covalently binds a target polypeptide. The algorithm and method can be used to rapidly and efficiently convert reversible inhibitors into irreversible inhibitors.

  这项发明是一种用于设计与靶多肽共价结合的抑制剂的算法和方法。该算法和方法可用于快速高效地将可逆抑制剂转化为不可逆抑制剂。
• STEREOREGULAR ROMP POLYMERS
  申请人：Sampson Nicole S.

  公开号：US20110251363A1

  公开（公告）日：2011-10-13

  The invention relates to stereoregular ROMP polymers, the monomers used to make them, and the processes used to convert the monomers to the polymers.

  本发明涉及立体规则ROMP聚合物、用于制造它们的单体以及将单体转化为聚合物所使用的工艺。
• Copper‐Catalyzed C−H (Phenylsulfonyl)difluoromethylation of Acrylamides: Scope, Mechanism, and Critical Role of Additives
  作者：Enzo Nobile、Floriane Doche、Thomas Castanheiro、Djamaladdin G. Musaev、Tatiana Besset

  DOI：10.1002/chem.202303362

  日期：2024.2.7

  Herein, we report the Cu‐complex catalyzed, native functional group‐assisted, and TFA/NMF additives promoted (phenylsulfonyl)difluoromethylation of vinylic C(sp²)−H bond of acrylamides. Using our in‐home designed reagent, this reaction enables the construction of the C(sp²)−CF₂SO₂Ph bond from simple C−H bond activation by copper catalysis under mild reaction conditions with total Z‐selectivity. The versatility of utilized fluorinated group was illustrated by its conversion into value‐added CF₂ moieties as well as the remarkable =CHF residue. The performed experimental and computational mechanistic studies enabled to identify the true nature of active catalyst and substrate, as well as establish critical roles of TFA and NMF additives. In this reaction, the TFA acts as a promoter of the much‐needed Cu^II/Cu^II→Cu^III/Cu^I disproportionation, while the NMF facilitates the following ligand exchange and C−C coupling processes. We ruled out the generation of radical intermediates and established the C−H activation to be irreversible and the rate‐determining step of the entire process.

  摘要我们在此报告了铜络合物催化、原生官能团辅助和 TFA/NMF 添加剂促进的丙烯酰胺乙烯基 C(sp2)-H键（苯磺酰基）二氟甲基化反应。利用我们自行设计的试剂，该反应可在温和的反应条件下，通过铜催化从简单的 C-H 键活化生成 C(sp2)-CF2SO2Ph 键，并具有完全的 Z 选择性。利用氟化基团将其转化为高附加值的 CF2 分子以及显著的 =CHF 残基，说明了氟化基团的多功能性。通过实验和计算机理研究，确定了活性催化剂和底物的真正性质，并确定了反式脂肪酸和 NMF 添加剂的关键作用。在这一反应中，反式脂肪酸对急需的 CuII/CuII→CuIII/CuI 歧化起到了促进作用，而 NMF 则促进了接下来的配体交换和 C-C 偶联过程。我们排除了自由基中间产物的产生，并确定 C-H 活化是不可逆的，而且是整个过程的速率决定步骤。
• POLYMERIZATION CATALYST, NOVEL TRANSITION METAL COMPOUND, AND POLYMERIZATION METHOD AND COPOLYMER USING THEM
  申请人：Mitsui Chemicals, Inc.

  公开号：EP1092729A1

  公开（公告）日：2001-04-18

  This invention relates to polymerization catalysts for unsaturated monomers which are represented by the following general formula [1]:         MR1kR2mR3nQh     [1] wherein R1 is selected from ligands having at least one nitrogen, sulfur, phosphorus or oxygen atom; R2 is selected from ligands comprising cyclic hydrocarbons having π-electrons, and R1 and R2 may be crosslinked with each other; R3 is selected from ligands comprising a hydrogen atom, alkyl groups, aryl groups, silicon-containing alkyl groups and silicon-containing aryl groups; M is a metal selected from the metals of group III of the periodic table; Q is selected from halogen atoms and electron-donating ligands, where Q may be the same or different if h is more than one; k is an integer of 1 to 4; and m, n and h are each 0 or an integer of 1 to 4.

  本发明涉及不饱和单体的聚合催化剂，其通式如下[1]： MR1kR2mR3nQh [1]. 其中R1选自至少有一个氮、硫、磷或氧原子的配体；R2选自由有π电子的环烃组成的配体，R1和R2可相互交联；R3选自由氢原子、烷基、芳基、含硅烷基和含硅芳基组成的配体；M 是选自元素周期表第 III 族金属的金属；Q 是选自卤素原子和电子捐赠配体的配体，其中如果 h 多于一个，Q 可以相同或不同；k 是 1 至 4 的整数；m、n 和 h 各为 0 或 1 至 4 的整数。
• SYNTHESIS REACTION CATALYST AND METHOD FOR SYNTHESIZING COMPOUND BY USING SAME
  申请人：DAIHATSU MOTOR COMPANY, LTD.

  公开号：EP1859862A1

  公开（公告）日：2007-11-28

  To improve a catalytic activity of a composite oxide, to carry out a reaction in a high yield, and to provide a synthesis reaction catalyst having excellent handling properties and a method of a synthesizing a compound using the same, a synthesis reaction catalyst containing a palladium-containing perovskite-type composite oxide having a specific surface area of 0.5 to 9.5 m2/g is used in Suzuki Cross-Couplings given by the following general scheme (14).

  为了提高复合氧化物的催化活性，高产率地进行反应，并提供一种具有优异处理性能的合成反应催化剂和使用该催化剂合成化合物的方法，在铃木交叉偶联反应中使用了一种含有比表面积为 0.5 至 9.5 m2/g 的含钯过氧化物型复合氧化物的合成反应催化剂，其一般方案如下 (14)。