Preparation Beilstein database

The CrossFire Beilstein database is the world s largest compilation of chemical facts. This database indexes three primary data domains substances, reactions and literature. The substance domain stores structural information with aU associated facts and literature references, including chemical, physical and bioactivity data. The reaction domain details the preparation of substances, enabling scientists to investigate specific reaction pathways with reaction search queries. The literature domain includes citations, titles and abstracts, which are hyperhnked to the substance and reaction domain entries. It contains over 320 million experimental data, over 10 million reactions and data indexed from over 175 journals. 

This chapter continues this work covering the literature of the last 10 years, that is, from 1996 until 2005. The preparation of this review was based on a literature search through SCOPUS and the Beilstein Database, which revealed 104 important papers published within this period. This chapter is organized in accordance with the general structure of CHEC-III, which includes a division into 12 sections including the same aspects as in CHEC-II(1996). For some aspects of thietane and thiete chemistry, such as their synthesis from six- and seven-membered rings, no new papers were published within the discussed period. 

Preparation of the chapter was based on a literature search through SCOPUS and the Beilstein Database, which identified 53 papers of value and which are discussed in this chapter. It is remarkable that so few papers appeared on fused thietanes and thietes during this period, and many of them are a continuation of previously published studies. To the best of our knowledge, only taxoids with fused thietane rings as well as mono- and disaccharides bearing fused thietane moieties constitute new classes of fused-ring thietanes and thietes. 

Existing isomers tend to have lower energy values. The structures with the lowest energy values that are not contained in the Beilstein database are 1,2,3,4-hex-atetraene (47.12 kcal/mol, 1) and 3-methylpenta-l,2-dien-4-yne (48.15 kcal/mol, 2). These isomers were prepared for the first time recently [191]. 

First, draw the structure of the compoimd in Crossfire s structure editor and search it against the Beilstein database. This brings up the record for the compound in question. A method of preparation using furfural and l-(3-nitrophenyl)ethanone is indicated under Reactions. If you follow the link to the Crossfire reaction record, you find two literature references D. L. Turner, /. Am. Chem. Soc. 71,1949, 612, and Li, Synth. Comm. 29,1999, 965. These articles describe methods of preparation from 2-furaldehyde and acetophenone. 

Supplementary Material 1. A graphical survey of the application of isatin in the synthesis of other heterocyclic systems is presented in Supplementary Material 2 and Supplementary Material 3 is a summary of metal complexes and some organometallic derivatives of isatin. These supplementary materials are available at www.sbq.org.br. The databases used for the preparation of this review were Chemical Abstracts, MEDLINE (www.healthgate.com), Beilstein (chemweb.com), Web of Science ISIS (webofscience.fapesp.br) and the IBM intellectual property network (www.patents.ibm.com). 

Preparation of structure queries, transfer of queries for on-line database searches, and capture of hits. Imports structures from ChemDraw, Alchemy III, and ISIS/Draw. Structures can be used to search BEILSTEIN, GMELIN, MARPAT (the CAS Markush patent file), REGISTRY, SPECINFO, CASREACT, and ChemInformRX databases. SciFinder for graphical user interface to STN databases. Internet address stnc.cas.org (134.243.5.32). 12th Collectii/e Index of Chemical Abstracts on CD-ROM. CASurveyor with recent CAS abstracts on CD-ROM. PCs (DOS and Windows) and Macintosh. 

BEILSTEIN contains organic chemical structures, preparation and reaction information, and numeric property data of pure components. The source for the database is the Beilstein Handbook of Organic Chemistry. The online version includes more current non-evaluated data than the handbook. 

The Beilstein CrossFire Organic Chemistry Database provides worldwide coverage of the literature relating to the preparations and properties of organic compounds. Beilstein is searchable in multiple ways, including chemical structure, formula, and physical property parameters. Beilstein indexes periodicals, books, dissertations, and patents dated 1800 to the present. 

During the 1970s and 1980s, VINITI and ZIC built a structural datafile of 3.3 million organic and organometallic compounds and facts covering the worldwide literature from the period 1975-1991. This database is similar to the Chemical Abstracts (USA) and Beilstein (Germany) structural databases. The information on the preparation of the compounds was transformed into 2.5 million reaction equations by the ZIC Institute. This file has been transformed into a commercial electronic reaction database by InfoChem, and is called the InfoChem Reaction Database. 

Beilstein is not a specific database for reactions, but nevertheless it contains more than 550,000 reactions and 4.5 million preparations. True reaction databases, eg. CASREACT, Cheminform RX and Chemreact contain only recent data. Beilstein and Gmelin (Sect. 7.11) cover the period back to the 18th century. 

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