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Finding Information on Chemical Reactions and Reagents
A Comparison of Useful Resources for Reaction and Reagent SearchingContents of this Guide
Electronic Resources that Perform Reaction Searches
- SciFinder Scholar
SciFinder Scholar (http://hdl.library.upenn.edu/1017/7033) searches two databases of reaction information.
CASREACT searches graphical reactions published from 1840 on, although the coverage is most comprehensive after 1975. You can search it by drawing a partial or complete reaction or link to it from an individual compound's record.
Chemical Abstracts searches the literature from 1907 on. You can search for preparations or for papers in which a particular substance is used as a reactant or reagent easily. Simply perform a substance identifier search for a name, CAS RN, formula, structure, or substructure, and click Get References. From the resulting list of substances, click Get References, and retrieve "only references associated with" preparation or reaction/reagent. If you want to find papers that prepare one substance AND use another substance as a reactant, you can do two separate searches and combine them with the "Combine Searches" feature.
Unfortunately, SciFinder will frequently tell you that your results are too general. If this happens in a CASREACT search, try limiting your search by publication year, using the Additional Options button. Search for all reactions from the past five or ten years. Then, go back and repeat your search, searching the previous ten years, the ten before that, etc.
- Beilstein CrossFire
Beilstein (http://hdl.library.upenn.edu/1017/6841) covers the organic chemistry literature from 1770 on. The majority of its references come from the top 180 journals in organic chemistry, and only fully-characterized compounds are included. Reaction searching is done using a graphical reaction search, a text search, or a combination of both. When performing a graphical search, multiple reactants and products can be drawn, either using exact structures or substructures. Searchable text fields include reaction classification; yield; general conditions; reagents, solvents, and catalysts; time; temperature; pressure; and pH.
- Gmelin CrossFire
Gmelin (http://hdl.library.upenn.edu/1017/6924) covers the inorganic and organometallic chemistry literature from the mid 1800s, although some references date back to the beginning of the 18th century. Literature is primarily drawn from the top 150 journals in inorganic and organometallic chemistry, and has some overlap with Beilstein. Graphical reaction searching is identical to Beilstein, as both are searched using the same client software. Since Gmelin is not focused on synthesis, the text fields differ from those of Beilstein. In addition to reaction details (which also include kinetics information), Gmelin allows you to search for substances that react with particular classes of compound and substances that engage in surface reactions.
- NIST Chemical Kinetics Database
The NIST Chemical Kinetics Database (http://hdl.library.upenn.edu/1017/11879) was created by the National Institute of Standards and Technology, a facility of the US government. The Kinetics Database gives thermal kinetic information for more than 11,000 reactions, primarily between smaller molecules. The literature is covered through early 2000. It is searchable by partial or complete reaction (text only; no structures), and you can also link to it from a compound's record in the NIST Chemistry Web Book (http://webbook.nist.gov/chemistry/)
Resources that Give Properties and Functions of Reagents
- Encyclopedia of Reagents for Organic Synthesis
Format
Print
OnlineLocation
Print: Chemistry Library Reference Room QD77 .E53 1995
Online: http://hdl.library.upenn.edu/1017/8504Organization
Alphabetically, by name of reagentDescription
The header of each entry has some physical properties of the reagent, including methods of purification and synthesis (when available), hazards, molecular weight, CAS RN, etc. Print has indices of formulae, compound name, and registry number. Online is easily browsable through an alphabetical index and can be searched by keyword, structure, substructure, reaction, formula, and name. You can search for the reaction you wish to effect and retrieve entries for reagents that perform this reaction. In addition, the entries tell under which circumstances a particular reagent will NOT work. - Handbook of Reagents for Organic Synthesis
Format
Print
Location
Print: Chemistry Library Reference Room QD77 .H37 1999
Organization
Volumes
- Reagents, Auxiliaries, and Catalysts for C-C Bond Formation
- Oxidizing and Reducing Agents
- Acidic and Basic Reagents
- Activating Agents and Protecting Groups
- Chiral Reagents for Asymmetric Synthesis
Description
Most of the data for this set comes from Paquettes Encyclopedia of Reagents. However, the reagents selected are sorted by their function. Volumes are organized alphabetically, but the reagents included are listed at the front of each volume under classes of reaction in which they participate. This is a good source to select if you have a particular type of transformation you wish to perform and wish to select an appropriate reagent because it is easier to compare the properties of the compounds than it is when using Paquette. - Fieser's Reagents for Organic Synthesis
Format
Print
Online: http://hdl.library.upenn.edu/1017/28270Location
Print: Chemistry Library QD262 .F5Organization
Reagents are listed alphabetically by name.Description
This work is slightly older than the Paquette work, but new volumes are constantly being added. It is an excellent alternative to the Encyclopedia of Reagents, and using the two in conjunction assures you a fairly comprehensive view of particular reagents. Since new developments and uses of existing reagents are published in succeeding volumes, it is important to use the index volumes to make sure that you are getting all possible information about each substance of interest. Index volumes are interspersed with the other parts of the work. - Compendium of Chiral Auxiliary Applications
Format
Print
Location
Print: Chemistry Library Reference Room QD262 .R66 2002
Organization
- Alkylation and Related Reactions
- Addition to C=C Bonds
Addition Reactions to C=N Bonds - Addition Reactions to C=O Bonds
Cycloadditions
Rearrangements
Miscellaneous Reactions
Resources Containing Purification Procedures for Organic Reagents
- Purification of Laboratory Chemicals
Format
Print
OnlineLocation
Print: (3rd Edition) Chemistry Library Reference TP156.P83 P47 1988
Online: (4th and 5th Edition) through Knovel Engineering and Scientific Online Reference BooksOrganization
Alphabetical by compound nameDescription
The print version is the 3rd edition. The online versions are the 4th and 5th. They have slightly more substances than the 3rd, but for most common reagents, the entries are identical. The entries tend to be very short and to the point, dealing with purification methods for organic chemicals.
Annual Series Dealing with Organic Reactions
- Organic Reactions
Format
PrintLocation
Chemistry Library QD251 .O7Description
An ongoing series dealing with topics in organic chemistry. - Organic Syntheses annual and Organic Syntheses Collective
Format
Print
OnlineLocation
Organic Syntheses annual: Chemistry Library QD262 .O7
Organic Syntheses Collective: Chemistry Library QD262 .O72
Online (Annual and Collective): http://hdl.library.upenn.edu/1017/8780Description
These volumes are frequently referenced in the work of other scientists. It is important to be aware of the difference between the two sets. Organic Syntheses is published annually and consists of a series of procedures on particular syntheses in organic chemistry. Organic Syntheses Comprehensive (a green set) was published in the 1970s and serves as a culmination of many of the techniques published in Organic Syntheses until that time. Both are well indexed and are good starting points when trying to determine how to perform a reaction. - Theilheimer's Synthetic Methods
Format
PrintLocation
Chemistry Library Computer Lab, Back WallDescription
This set is also an annual series, dealing with methods in organic synthesis. Like Organic Syntheses and Organic Reactions, it presents a series of reviews on topics of interest.
Resources that Provide a Review of the Synthetic Literature
- Houben Weyl's Methoden der Organische Chemie
Format
Print
OnlineLocation
Print: Chemistry Library Reference Room
Online: through Science of Synthesis; click Houben-Weyl tab.Organization
Four editions and a supplemental E-series. The original volumes are organized according to type of compound or procedure. The E-series deal with specific topics in organic chemistry.Description
Houben Weyl is an enormous treatise on methods in organic synthesis. It exists in several volumes and an E-series supplement and covers the literature from the early 1900s until the 1990s. The original volumes are all in German, but we have some of the E-series volumes in English translation. Many of the volumes deal with synthetic methods for substances having particular functionality; this is printed on the spines of the print volumes. One of the more useful sections of the set is the Stereoselective Synthesis part of the E-series. The online version has a complete, English language index and table of contents that are fully browsable. Search functions include chapter title, author, and page. Browse functions include section title and ring system. - Science of Synthesis
Format
OnlineLocation
http://hdl.library.upenn.edu/1017/9713Organization
Organized into "volumes" by type of compound. The volume structure appears in the sidebar on the left of the screen.Description
Science of Synthesis is a 48-volume follow-up set to Houben Weyl, covering the literature of the past several years. It is due to be finished publication by 2008 and is therefore incomplete. Like Houben Weyl, it is easily browsable by section title. The electronic version is more searchable than Houben Weyl. You can search by reactant, product, catalyst, yield, section title, reaction, or substance. - Comprehensive Organic Functional Group Transformations
Format
PrintLocation
Comprehensive Organic Functional Group Transformations I: Chemistry Library Reference QD262 .C534 1995
Comprehensive Organic Functional Group Transformations II: Chemistry Library Reference QD262 .C5343 2005Organization
- Carbon with No Attached Heteroatoms
- Carbon with One Heteroatom Attached by a Single Bond
- Carbon with One Heteroatom Attached by a Multiple Bond
- Carbon with Two Heteroatoms, Each Attached by a Single Bond
- Carbon with Two Attached Heteroatoms with at Least One Carbon-to-Heteroatom Multiple Link
- Carbon with Three to Four Attached Heteroatoms
- Index
Description
Like Houben-Weyl and the Science of Synthesis, this is a treatise on organic synthetic techniques. It focuses on methods of transforming functional groups, and consists of many review articles on particular transformations. Both sets have the same organization; the second edition covers the literature from 1995, the publication year of the first edition, until 2005. Each volume has an excellent table of contents that takes one to the appropriate section of the work quickly and accurately. The index is divided into four sections: a comprehensive table of contents of all volumes, an alphabetical index of all contributors, a list of abbreviations used in the series, and a subject index. - Comprehensive Organic Synthesis
Format
PrintLocation
Chemistry Library Reference QD262 .C535 1991Organization
- Additions to C-X &pi Bonds, Part 1
- Additions to C-X &pi Bonds, Part 2
- C-C &sigma Bond Formation
- Additions to and Substitutions at C-C &pi Bonds
- Combining C-C &pi Bonds
- Heteroatom Manipulation
- Oxidation
- Reduction
- Cumulative Index
Description
This is another excellent comprehensive treatise on various aspects of synthetic chemistry. Like the previous work, it has an index that includes a comprehensive table of contents for the entire set, an author index, and a subject index. - Comprehensive Organic Chemistry
Format
PrintLocation
Chemistry Library Reference QD245 .C65Organization
- Stereochemistry, Hydrocarbons, Halo Compounds, Oxygen Compounds
- Nitrogen Compounds, Carboxylic Acids, Phosphorus Compounds
- Sulphur Compounds, Selenium Compounds, Silicon Compounds, Boron Compounds, Organometallic Compounds
- Heterocyclic Compounds
- Biological Compounds
- Formula Index, Subject Index, Author Index, Reaction Index, Reagent Index
Description
Another treatise on organic chemistry. Indexed in much the same way as the previous two. Not as specific as either.
