Exploiting Chalcogen Bonding and Non-Covalent Interactions in Isochalcogenourea Catalysis: Catalyst Preparation, Mechanistic Studies and Applications
在异硫属脲催化中利用硫属键合和非共价相互作用:催化剂制备、机理研究和应用
基本信息
- 批准号:EP/T023643/1
- 负责人:
- 金额:$ 93.88万
- 依托单位:
- 依托单位国家:英国
- 项目类别:Research Grant
- 财政年份:2020
- 资助国家:英国
- 起止时间:2020 至 无数据
- 项目状态:未结题
- 来源:
- 关键词:
项目摘要
The ability to synthetically manipulate and prepare specific molecular structures with defined bespoke properties is the main goal of synthetic chemistry, with applications that span the breadth of contemporary science ranging from materials chemistry to chemical biology. Catalysis provides society with efficient industrial processes that minimize energy consumption, waste production and the formation of harmful by-products. This research proposal aims to bring together these two areas, through developing a range of effective catalysts and generating an understanding of their fundamental properties. The developed catalysts will be used to uncover new and effective routes to prepare high value (chiral) materials that will be of interest to the global synthetic community as well as the pharmaceutical and agrochemical industries. This proposal aims to generate a fundamental understanding of how a particular class of simple organic molecule, known as an isochalcogenourea, is able to catalyze a wide range of selective chemical transformations. Through developing an understanding of how each step in a particular process works, and by comprehending how the rate of each step if effected by a change in catalyst structure, we hope to reveal the factors that provide control in the products formed and ultimately lead to more effective reaction processes.The use of organic materials as catalysts is often grouped under the term "organocatalysis". One of the main advantages of this approach is that typical transformations may be performed under relatively mild, 'greener' conditions, thus offering key sustainability benefits. By contrast, catalysis using metals usually requires more stringent conditions, including the rigorous exclusion of moisture and oxygen as well as the use of typically expensive metal systems. However, metal-derived catalyst systems still substantially outperform organocatalytic analogues; with high catalyst loadings still necessary in the majority of organocatalytic reactions. As a result, there has been limited uptake to date of organocatalytic approaches in industrial settings despite the clear 'green' advantages. A step change in catalyst efficiency will be required before the broader usage of organocatalytic approaches occurs. A more detailed mechanistic understanding of the inter-relation between catalyst structure and product is essential to underpin future developments. This proposal will demonstrate a fundamental quantitative understanding of the roles of isochalcogenoureas in catalysis. Through understanding these processes we will deliver a series of catalysts that can be used at very low concentration to allow synthetic access to the broad range of scaffolds required by the chemical and pharmaceutical industries.
合成操作和制备具有特定定制特性的特定分子结构的能力是合成化学的主要目标,其应用范围涵盖从材料化学到化学生物学的当代科学的广度。催化为社会提供了有效的工业过程,最大限度地减少能源消耗,废物产生和有害副产品的形成。该研究计划旨在通过开发一系列有效的催化剂并了解其基本特性,将这两个领域结合起来。开发的催化剂将用于发现新的有效途径,以制备高价值(手性)材料,这些材料将引起全球合成界以及制药和农用化学品行业的兴趣。该提案旨在从根本上了解一类特殊的简单有机分子(称为异硫属元素)如何能够催化广泛的选择性化学转化。通过了解特定过程中的每一步是如何工作的,以及通过理解催化剂结构的变化如何影响每一步的速率,我们希望揭示控制所形成的产物并最终导致更有效的反应过程的因素。有机材料作为催化剂的使用通常被归类为术语“有机催化”。这种方法的主要优点之一是,典型的转换可以在相对温和的,“绿色”的条件下进行,从而提供关键的可持续性效益。相比之下,使用金属的催化通常需要更严格的条件,包括严格排除水分和氧气以及使用通常昂贵的金属系统。然而,金属衍生的催化剂体系仍然大大优于有机催化类似物;在大多数有机催化反应中仍然需要高催化剂负载。因此,尽管有机催化方法具有明显的“绿色”优势,但迄今为止在工业环境中的吸收有限。在更广泛地使用有机催化方法之前,将需要催化剂效率的阶跃变化。对催化剂结构和产物之间的相互关系的更详细的机理理解对于支持未来的发展至关重要。这个建议将展示一个基本的定量理解的作用isochalcogenoureas催化。通过了解这些过程,我们将提供一系列催化剂,这些催化剂可以在非常低的浓度下使用,以允许合成化学和制药行业所需的各种支架。
项目成果
期刊论文数量(5)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
Isothiourea-Catalyzed [2 + 2] Cycloaddition of C(1)-Ammonium Enolates and N-Alkyl Isatins.
- DOI:10.1021/acs.orglett.2c02170
- 发表时间:2022-07-29
- 期刊:
- 影响因子:5.2
- 作者:Abdelhamid, Yusra;Kasten, Kevin;Dunne, Joanne;Hartley, Will C.;Young, Claire M.;Cordes, David B.;Slawin, Alexandra M. Z.;Ng, Sean;Smith, Andrew D.
- 通讯作者:Smith, Andrew D.
Unveiling the impact of a CF2 motif in the isothiourea catalyst skeleton: Evaluating C(3)-F2-HBTM and its catalytic activity
揭示 CF2 基序在异硫脲催化剂骨架中的影响:评估 C(3)-F2-HBTM 及其催化活性
- DOI:10.24820/ark.5550190.p012.093
- 发表时间:2023
- 期刊:
- 影响因子:0.9
- 作者:Westwood M
- 通讯作者:Westwood M
Isothiourea-Catalysed Acylative Dynamic Kinetic Resolution of Tetra-substituted Morpholinone and Benzoxazinone Lactols
异硫脲催化四取代吗啉酮和苯并恶嗪酮乳醇的酰化动态动力学拆分
- DOI:10.26434/chemrxiv-2024-mx605
- 发表时间:2024
- 期刊:
- 影响因子:0
- 作者:Zhu H
- 通讯作者:Zhu H
Enantioselective Synthesis of Tetra-substituted 3-Hydroxyphthalide Esters by Isothiourea-Catalysed Acylative Dynamic Kinetic Resolution
异硫脲催化酰化动态动力学拆分对映选择性合成四取代 3-羟基苯酞酯
- DOI:10.26434/chemrxiv-2024-tjwhm
- 发表时间:2024
- 期刊:
- 影响因子:0
- 作者:Agrawal S
- 通讯作者:Agrawal S
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Andrew Smith其他文献
Destination London: The Expansion of the Visitor Economy
伦敦目的地:游客经济的扩张
- DOI:
- 发表时间:
2019 - 期刊:
- 影响因子:0
- 作者:
Andrew Smith;A. Graham - 通讯作者:
A. Graham
A Real-Time Algorithm for Accurate Collision Detection for Deformable Polyhedral Objects
可变形多面体物体精确碰撞检测的实时算法
- DOI:
10.1162/105474698565514 - 发表时间:
1998 - 期刊:
- 影响因子:0
- 作者:
Y. Kitamura;Andrew Smith;H. Takemura;F. Kishino - 通讯作者:
F. Kishino
Effects of Re-Using a Conceptual Examination Question in Physics
物理中重复使用概念考试题的效果
- DOI:
10.1007/s11165-005-5114-1 - 发表时间:
2005 - 期刊:
- 影响因子:0
- 作者:
M. Sharma;Ian M. Sefton;M. Cole;Aaron Whymark;Rosemary Millar;Andrew Smith - 通讯作者:
Andrew Smith
Congo red staining in digital pathology: the "SPADA" pipeline.
数字病理学中的刚果红染色:“SPADA”管道。
- DOI:
10.1016/j.labinv.2023.100243 - 发表时间:
2023 - 期刊:
- 影响因子:0
- 作者:
G. Cazzaniga;M. Bolognesi;Matteo Davide Stefania;Francesco Mascadri;A. Eccher;F. Alberici;Federica Mescia;Andrew Smith;F. Fraggetta;Mattia Rossi;G. Gambaro;F. Pagni;V. L’Imperio - 通讯作者:
V. L’Imperio
Cladistics: A Practical Primer on CD-ROM. By Peter Skelton and Andrew Smith, with accompanying booklet by NealeMonks. Cambridge University Press, 40 West 20th Street, New York, NY 10011-4211, ISBN: 0-521-52341-9, Price $55.00
Cladistics:实用入门 CD-ROM 版。
- DOI:
- 发表时间:
2005 - 期刊:
- 影响因子:2
- 作者:
Peter Skelton;Andrew Smith - 通讯作者:
Andrew Smith
Andrew Smith的其他文献
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{{ truncateString('Andrew Smith', 18)}}的其他基金
Establishing a new palaeothermometer from the speleothem archive of phosphate-oxygen isotopes
利用磷酸氧同位素洞穴档案建立新的古温度计
- 批准号:
NE/X011968/1 - 财政年份:2023
- 资助金额:
$ 93.88万 - 项目类别:
Research Grant
Next Generation, Physics-Inspired AI for Space Weather Forecasting
用于空间天气预报的下一代物理启发人工智能
- 批准号:
NE/W009129/1 - 财政年份:2022
- 资助金额:
$ 93.88万 - 项目类别:
Fellowship
Video-Recordings of Eyewitness Identification in Actual Cases: The Postdictive Value of Eyewitness Behaviors
实际案件中目击者识别的录像:目击者行为的事后价值
- 批准号:
2017510 - 财政年份:2020
- 资助金额:
$ 93.88万 - 项目类别:
Continuing Grant
Underpinning Mechanistic Studies of NHC-Organocatalysis: A Breslow Intermediate Reactivity Scale
NHC 有机催化的基础机制研究:Breslow 中级反应量表
- 批准号:
EP/S019359/1 - 财政年份:2019
- 资助金额:
$ 93.88万 - 项目类别:
Research Grant
RUI: Collaborative Research: Assessments and Stances Regarding the Uncertainty of (Un)Desired Outcomes
RUI:协作研究:关于(不)期望结果的不确定性的评估和立场
- 批准号:
1851766 - 财政年份:2019
- 资助金额:
$ 93.88万 - 项目类别:
Continuing Grant
NSFPLR-NERC: GHOST (Geophysical Habitat of Subglacial Thwaites)
NSFPLR-NERC:GHOST(冰下思韦特斯地球物理栖息地)
- 批准号:
NE/S006672/1 - 财政年份:2018
- 资助金额:
$ 93.88万 - 项目类别:
Research Grant
REU Site: Frontiers in Biomedical Imaging
REU 网站:生物医学成像前沿
- 批准号:
1757837 - 财政年份:2018
- 资助金额:
$ 93.88万 - 项目类别:
Standard Grant
Resource for innovation and application of genetic engineering strategies in embryonic stem cells
胚胎干细胞基因工程策略的创新和应用资源
- 批准号:
MC_UU_00016/10 - 财政年份:2017
- 资助金额:
$ 93.88万 - 项目类别:
Intramural
相似海外基金
Leveraging the synergy between experiment and computation to understand the origins of chalcogen bonding
利用实验和计算之间的协同作用来了解硫族键合的起源
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职业:消除化学误解,发现新的磷元素-硫元素键/反应性并提高转学生的成功率
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职业:硫族键介导的多孔晶体框架组装、分级组装和多组分材料的研究
- 批准号:
2143623 - 财政年份:2022
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Development of organic mechanochromic materials with room-temperature phosphorescence utilizing chalcogen bonding
利用硫属键合开发具有室温磷光的有机机械致变色材料
- 批准号:
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Weakly bonding interactions in organo-chalcogen chemistry
有机硫属化学中的弱键合相互作用
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238719-2003 - 财政年份:2005
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$ 93.88万 - 项目类别:
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Weakly bonding interactions in organo-chalcogen chemistry
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Weakly bonding interactions in organo-chalcogen chemistry
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- 资助金额:
$ 93.88万 - 项目类别:
Discovery Grants Program - Individual
Weakly bonding interactions in organo-chalcogen chemistry
有机硫属化学中的弱键合相互作用
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- 资助金额:
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