1-Eth-oxy-3-[4-(eth-oxy-carbon-yl) phen-yl]-3-hy-droxy-1-oxopropan-2-aminium 化物 化物 化物 化物 化物 化物
Dieter Schollmeyer1, Igor Proz1, Heiner Detert1
1University of Mainz, Department of Chemistry, Duesbergweg 10-14, 55099 Mainz, Germany.
IUCrData
|December 23, 2024
概括
研究人员合成了一种racemic化合物,C14H20NO5+·Cl-,它形成了多层的晶体结构. 这些层由基和离子之间的键稳定,酸基促进了相互排序.
科学领域:
- 晶体学 晶体学是指结晶学.
- 有机化学 有机化学
- 超分子化学 超分子化学
背景情况:
- 具有特定结构性质的新型有机化合物的合成对材料科学至关重要.
- 了解分子间力量,如键,是预测和控制晶体包装的关键.
- 种族混合物在化学合成和表征中提出了独特的挑战和机会.
研究的目的:
- 为了合成和描述一种新型的racemic化合物,其化学式为C14H20NO5+·Cl-.
- 为了阐明合成化合物的晶体结构和分子间相互作用.
- 研究键和群相互作用在分层晶体架构形成中的作用.
主要方法:
- 通过减少基-氨基基前体,制备标题化合物作为种族化合物 (R,R-和S,S-反体).
- 单晶X射线衍射分析以确定三维晶体结构.
- 分析分子间相互作用,包括键和范德瓦尔斯力.
主要成果:
- 标题化合物,C14H20NO5+·Cl-,已成功合成为一种种族混合物.
- 晶体结构分析揭示了由氨基团和离子之间的键稳定层次结构的形成.
- 观察到相互数字化的基基基组连接这些片状层,为整体晶体结构做出了贡献.
结论:
- 合成产生了目标的racemic化合物,为进一步研究提供了一个新的分子实体.
- 晶体结构表现出由特定的分子间力驱动的精确定义的层次排列.
- 这项研究突出了键和群相互作用在固态中构建超分子架构的相互作用.
相关概念视频
Acid Halides to Amides: Aminolysis
2.6K
Aminolysis is a nucleophilic acyl substitution reaction, where ammonia or amines act as nucleophiles to give the substitution product. Acid halides react with ammonia, primary amines, and secondary amines to yield primary, secondary, and tertiary amides, respectively.
In the first step of the aminolysis mechanism, the amine attacks the carbonyl carbon of the acyl chloride to form a tetrahedral intermediate. In the second step, the carbonyl group is re-formed with the elimination of a chloride...
In the first step of the aminolysis mechanism, the amine attacks the carbonyl carbon of the acyl chloride to form a tetrahedral intermediate. In the second step, the carbonyl group is re-formed with the elimination of a chloride...
2.6K
Amines to Amides: Acylation of Amines
2.4K
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...
Next, the second equivalent of amine serves as a Brønsted base and deprotonates the quaternary...
2.4K
Esters to β-Ketoesters: Claisen Condensation Mechanism
3.5K
Regular Claisen condensation involves the synthesis of β-ketoesters by combining identical ester molecules bearing two α hydrogens in the presence of an alkoxide base. The reaction commences with the deprotonation of the acidic α hydrogen by the base to form a resonance stabilized ester enolate. This nucleophilic ion then attacks the carbonyl center of another ester molecule to generate a tetrahedral alkoxide intermediate. Next, the expulsion of the alkoxide group from the...
3.5K
Carboxylic Acids to Acid Chlorides
6.8K
Carboxylic acids react with SOCl2 or PCl5 to form acid chlorides. Amongst the carboxylic acid derivatives, acid chlorides are the most reactive and synthetically important derivatives. They are useful reagents for Friedel–Crafts acylation of some aromatic compounds.
6.8K
Formation of Halohydrin from Alkenes
12.7K
An alkene, such as propene, reacts with bromine in the presence of water to yield a halohydrin. Halohydrins contain a halogen and a hydroxyl group attached to adjacent carbons. When the halogen is bromine, it is called a bromohydrin, while a chlorohydrin has chlorine as the halogen.
12.7K
Preparation of 1° Amines: Hofmann and Curtius Rearrangement Mechanism
3.4K
The Hofmann and Curtius rearrangement reactions can be applied to synthesize primary amines from carboxylic acid derivatives such as amides and acyl azides. In the Hofmann rearrangement, a primary amide undergoes deprotonation in the presence of a base, followed by halogenation to generate an N-haloamide. A second proton abstraction produces a stabilized anionic species, which rearranges to an isocyanate intermediate via an alkyl group migration from the carbonyl carbon to the neighboring...
3.4K


