IDBS Blog | 14th June 2016
Round and round, I calculate
Traditionally, when you needed to work out the quantities of reagents required for a synthetic reaction, your best ally used to be a piece of paper, your calculator and your integral knowledge of the formulae for calculating the required quantities. Many common reagents are often liquids e.g. Et3N with a density of 0.79 g/ml or pre-packaged solutions e.g. 1M BuLi in THF, thus requiring concurrent density and concentration calculations.
Using the new E‑WorkBook Chemistry product, we have translated the thought-process of the chemist into the software, and designed our performant stoichiometry calculation engine to handle all the calculations in one go, allowing you to calculate and record all the amounts in your reaction from the starting materials, reagents and the final calculation of the yield once you have purified your product.
In addition, the system also handles the “reverse” calculation e.g. “I’ve done this reaction before, and I know it gives me a 75% yield after purification. If I needed 5g of product, what quantities of reagents would I need?”. By providing the system with the equivalent scale of the reaction components, and the desired amount of product and the expected yield, it will work backwards to give you the required amounts of all the starting material, in a single click.
With the E‑WorkBook chemistry product, your old calculator will start to gather dust…