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CHEM 3000: SciFinder -- Substances & Rxs

Summary -- The CAS Registry Database

Entry points

  • Chemical structure
  • Name -- via Substance identifer
  • CAS Registry Number -- via Substance identifier
  • Molecular formula
  • Properties -- May be useful but do not rely on it

Substances -- Types

Substance roles -- Since 1966 (All years for Preparation)

Analyze by Precision

Analyze and Refine options

Preparations

Preparations -- From SciFinder substance record

   Retrieve references where substance's role is "Preparation"

Often best to look at oldest preparations first

Look for a preparation that meets your needs (e.g., scale, purity, convenience)

Some journals are specialize in synthesis (e.g., Organic Syntheses and Inorganic Syntheses)

Other “synthesis” journals include Synthesis and Synthetic Communications

Other chemistry journals such as the J. Am. Chem. Soc., Inorg. Chem. and J. Org. Chem.

SciFinder -- Reactions -- What is searched?

1985-present => Journals from Chemical Abstracts

1991-present => Patents from Chemical Abstracts

1974-1999 (Articles) and 1982-1999 (Patents) => VINITI (USSR) and ZIC (German) databases

1840-1985 => Core Reactions Database (INPI, French database)

1971-1997 => Biotransformations database

1921-pesent => Organic Reactions; Organic Syntheses; Encyclopedia of Reagents of Organic Synthesis

SciFinder -- Reactions -- Summary

Three ways to search for preparations.

  1. Explore substances ... choose references for Preparation  <= This is the best
  2. Explore reactions ... use the reaction drawing window
  3. Explore references ... type in "preparation of [insert the CAS Registry Number] 

CASREACT -- Coverage pre-1985 literature is incomplete (even pre-2000 is not complete)

Analyze / Refine options

Non-reacting functional groups

Class outline

SciFinder -- Substances
    
CAS Registry Database
    Entry Points
    Structure searching
    Substance roles (1966)
    Precision analysis
    Analyze/Refine
    Preparations

SciFinder -- Reactions
  
 Explore reactions