Encyclopedia of Reagents for Organic Synthesis

doi:10.1002/047084289x

Cited by 24 publications

(18 citation statements)

References 7 publications

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“…The e-EROS (Encyclopedia of Reagents for Organic Synthesis) [31] focuses on the reagents and catalysts used in organic chemistry for synthesis. The FlowReact Search [32] covers a range of over 2000 flow chemistry reactions adapted from publications on pharmaceutical, fine chemical and biotech companies.…”

Section: Specialized Databasesmentioning

confidence: 99%

A Reaction Database for Small Molecule Pharmaceutical Processes Integrated with Process Information

et al. 2017

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This article describes the development of a reaction database with the objective to collect data for multiphase reactions involved in small molecule pharmaceutical processes with a search engine to retrieve necessary data in investigations of reaction-separation schemes, such as the role of organic solvents in reaction performance improvement. The focus of this reaction database is to provide a data rich environment with process information available to assist during the early stage synthesis of pharmaceutical products. The database is structured in terms of reaction classification of reaction types; compounds participating in the reaction; use of organic solvents and their function; information for single step and multistep reactions; target products; reaction conditions and reaction data. Information for reactor scale-up together with information for the separation and other relevant information for each reaction and reference are also available in the database. Additionally, the retrieved information obtained from the database can be evaluated in terms of sustainability using well-known "green" metrics published in the scientific literature. The application of the database is illustrated through the synthesis of ibuprofen, for which data on different reaction pathways have been retrieved from the database and compared using "green" chemistry metrics.

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Section: Specialized Databasesmentioning

confidence: 99%

A Reaction Database for Small Molecule Pharmaceutical Processes Integrated with Process Information

et al. 2017

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“…For bis(ethynyl) [2,2]paracyclophane 189 as an example, it has been shown that an S7S bridge can form between two triple bonds. 128 Disulfide 190 is synthesized under very mild conditions in moderate yield (Scheme 97).…”

Section: Scheme 96mentioning

confidence: 99%

“…2 According to the IUPAC nomenclature, the S 2 Cl 2 compound is named disulfur dichloride. However, we will use a more harmonic, in our opinion, name Ð sulfur monochloride.…”

Section: Introductionmentioning

confidence: 99%

Sulfur monochloride in organic synthesis

Konstantinova¹,

Ракитин²

2014

Russ. Chem. Rev.

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“…As a result, these reagents have been used as mild and selective oxidizing agents in synthetic organic and mechanistic chemistry [7][8][9][10][11][12]. The prominent member of this group of compounds is sodium-N-chloro-p-toluenesulfonamide, commonly known as chloramine-T (CAT), it is a wellknown oxidizing/halogenating/analytical agent and the kinetic and mechanistic aspects of many of its reactions have been well documented [7][8][9][10][11][12][13]. Sodium-Nchlorobenzenesulfonamide or chloramine-B (CAB) is the benzene analogue of CAT, which can be easily prepared from the reaction of benzenesulfonamide and chlorine in basic solutions.…”

Section: Introductionmentioning

confidence: 99%

Conversion of imidazoles to imidazolones with chloramine-B: kinetic and mechanistic study

Manjunatha

Puttaswamy

2016

Monatsh Chem

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Oxidative conversion of 1H-imidazole (IzlH) and 2-substituted imidazoles viz., 2-ethyl-1H-imidazole (2-EtIzlH), 2-methyl-1H-imidazole (2-MeIzlH), 1H-imidazole-2-ester (2-EsIzlH), and 1H-imidazole-2-carbaldehyde (2-CaIzlH) to the corresponding imidazolones with sodium N-chlorobenzenesulfonamide or chloramine-B (CAB) were established. This reaction was kinetically investigated at 303 K in HClO 4 medium. Under comparable experimental conditions, the oxidation reactions followed identical kinetics for all the five imidazoles with a first-order dependence of rate on [CAB] o and fractional-order dependence each on [imidazole] o and [H ? ]. Effects of added benzenesulfonamide, halide ions, NaClO 4 , and MeOH on the rate of reaction have been studied. Reaction products were identified and characterized by GC-MS and NMR spectral analysis. The rates are measured at different temperatures and the composite activation parameters have been computed from the Arrhenius plots. Isokinetic temperature (b) was found to be 449 K which is higher than the experimental temperature (303 K), indicating that the rate has been under enthalpy control. Relative reactivity of these imidazoles is in the order:Cl have been postulated as the reactive oxidizing species. The reaction mechanism and the derived rate law are in good agreement with the observed experimental results. Spectroscopic studies have been made for an intermediate complex formation between CAB and imidazole. Advantages of the present method include: mild reaction conditions, cost-effectiveness, short reaction time, ease of isolation of products, and the use of eco-friendly reagents. Hence, the methodology developed could be adopted for the facile oxidative conversion of imidazoles to imidazolones and can be scaled up to industrial operation with suitable modification.

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Encyclopedia of Reagents for Organic Synthesis

Cited by 24 publications

References 7 publications

A Reaction Database for Small Molecule Pharmaceutical Processes Integrated with Process Information

A Reaction Database for Small Molecule Pharmaceutical Processes Integrated with Process Information

Sulfur monochloride in organic synthesis

Conversion of imidazoles to imidazolones with chloramine-B: kinetic and mechanistic study

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