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相关概念视频

Carboxylic Acids to Methylesters: Alkylation using Diazomethane01:33

Carboxylic Acids to Methylesters: Alkylation using Diazomethane

2.2K
Carboxylic acids react with diazomethane in an ether solvent via alkylation at the carboxylate oxygen atom to give methyl esters of the corresponding acid with excellent yields.
2.2K
Phase II Reactions: Methylation Reactions01:17

Phase II Reactions: Methylation Reactions

192
Methylation is a phase II biotransformation process involving the attachment of a methyl group to a substrate. Enzymes known as methyltransferases orchestrate this reaction.
The mechanism of methylation unfolds in two stages. The first stage sees a methyltransferase enzyme facilitating the transfer of a methyl group from S-adenosylmethionine (SAM) to the substrate, forming S-adenosylhomocysteine (SAH). The second stage involves further metabolism of SAH into homocysteine, which can be recycled...
192
Amines to Amides: Acylation of Amines01:19

Amines to Amides: Acylation of Amines

2.5K
Various carboxylic acid derivatives (such as acid chlorides, esters, and anhydrides) can be used for the acylation of amines to yield amides. The reaction requires two equivalents of amines. The first amine molecule functions as a nucleophile and attacks the carbonyl carbon to produce a tetrahedral intermediate. This is followed by the loss of the leaving group and restoration of the C=O bond.
Next, the second equivalent of amine serves as a Brønsted base and deprotonates the quaternary...
2.5K
Preparation of Amides01:29

Preparation of Amides

3.0K
Amides are synthesized by treating carboxylic acids with amines in the presence of dehydrating agents like dicyclohexylcarbodiimide (DCC).
The DCC-promoted synthesis of amides begins with the protonation of DCC by carboxylic acid. The protonation makes it a better acceptor. Next, the addition of carboxylate to the protonated carbodiimide gives a reactive acylating agent.
Subsequently, the amine acts as a nucleophile that attacks the acylating agent to form a tetrahedral intermediate. In the...
3.0K
Carboxylic Acids to Esters: Acid-Catalyzed (Fischer) Esterification Mechanism01:13

Carboxylic Acids to Esters: Acid-Catalyzed (Fischer) Esterification Mechanism

7.9K
Carboxylic acids react with alcohols to yield esters via an acid-catalyzed condensation reaction called Fischer esterification. This is a nucleophilic acyl substitution reaction that proceeds via a tetrahedral intermediate, where a water molecule is eliminated as the leaving group.
7.9K
Alkylation of β-Diester Enolates: Malonic Ester Synthesis01:14

Alkylation of β-Diester Enolates: Malonic Ester Synthesis

3.4K
Malonic ester synthesis is a method to obtain α substituted carboxylic acids from ꞵ-diesters such as diethyl malonate and alkyl halides.
3.4K

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相关实验视频

Updated: Jul 5, 2025

Synthesis of Esters Via a Greener Steglich Esterification in Acetonitrile
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Synthesis of Esters Via a Greener Steglich Esterification in Acetonitrile

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在甲基乙中模拟氨基甲基化 甲基乙 Cavitand.

Gantulga Norjmaa1, Julius Rebek2,3, Fahmi Himo1

  • 1Department of Organic Chemistry, Arrhenius Laboratory, Stockholm University, SE-106 91, Stockholm, Sweden.

Chemistry (Weinheim an der Bergstrasse, Germany)
|January 15, 2024
PubMed
概括

这项研究使用模拟来展示Resorcinarene的cavitands如何加速氨基甲基化反应. 计算结果与实验数据一致,解释了观察到的显著速度增强.

关键词:
密度函数理论,空洞,甲基化,反应机制,超分子化学

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Exploring the Arginine Methylome by Nuclear Magnetic Resonance Spectroscopy
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Methods to Identify the NMR Resonances of the 13C-Dimethyl N-terminal Amine on Reductively Methylated Proteins
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相关实验视频

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Exploring the Arginine Methylome by Nuclear Magnetic Resonance Spectroscopy
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Methods to Identify the NMR Resonances of the 13C-Dimethyl N-terminal Amine on Reductively Methylated Proteins
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科学领域:

  • 超分子化学 超分子化学
  • 计算化学的计算化学
  • 有机化学 有机化学

背景情况:

  • 众所周知,以Resorcinarene为基础的洞膜可以封装分子.
  • 这些洞膜可以显著加速化学反应,包括氨基甲基化.
  • 了解这种加速的机制对于设计新的催化剂至关重要.

研究的目的:

  • 为了研究在特定的酸腔体内氨基甲基化速度加速背后的分子机制.
  • 通过计算分析甲基转移反应的结合相互作用和过渡状态.
  • 将计算预测与实验观测进行比较.

主要方法:

  • 用分子动力学 (MD) 模拟来建模该系统.
  • 量子化学计算被用来确定反应障碍和能量.
  • 研究了八种不同的氨基,以评估反应的范围.

主要成果:

  • 洞内八种氨基的结合几何形状和能量被描述.
  • 对甲基化反应的计算激活障碍与实验数据有很好的一致性.
  • 计算模型成功地重现了实验观察到的速度加速.

结论:

  • 这项研究提供了详细的分子理解,洞穴体如何增强氨基甲基化率.
  • 计算方法被验证为研究超分子催化物的有效工具.
  • 这些发现为设计用于化学转换的新型宿主-客系统提供了洞察力.