Chemistry 351 - Principles of Organic Chemistry II
Spring Semester 2020, Winona State University, Dr. Thomas Nalli

Expt 2 - Grignard Synthesis of 8-Pentadecanol

Relevant textbook readings - Mohrig Technique 7.2-7.3. Klein Chapter 12.6

Overview - You will prepare a Grignard reagent from 1-bromoheptane and then react it with octanal to form 8-pentadecanol. The product will be analyzed by IR, 1H NMR and 13C NMR.

Procedures

Preparation of the Grignard Reagent

All of the glassware needs to be very dry for this reaction to work, so the instructor will supply oven-dried kits to each lab group at the start of the lab. Each kit should contain: a 25-mL round bottom flask, two large screw top vials, a 50-mL Erlenmeyer, a Claisen adapter, a drying tube, and a Pasteur pipet. Roughly calibrate the pipet by making marks with a wax pencil or Sharpie as shown on in Mohrig (inside front cover).

Assemble a reaction apparatus suitable for the slow addition of a reagent under anhydrous conditions (Mohrig, Chap 7.5a). The basis for this apparatus is shown in fig 7.5a. However, a drying tube filled with CaCl2 needs to be placed at the top of the reflux condenser (similar to the setup shown in fig 7.2b). Also, you will need to use a 25-mL round bottom flask in place of the conical vial shown in fig 7.3. (Also note that the syringe does not get inserted until you are actually ready to begin adding a reagent using it.)

Temporarily disassemble the reaction apparatus so that you can add 15 mmol magnesium and a magnetic stirbar to the round bottom flask. Reassemble the apparatus.

Obtain approximately 40 mL anhydrous ethyl ether using your dry Erlenmeyer. This is your stock of ether for the first part of the reaction. Keep the flask capped when not actively removing ether from it.

Weigh a dry vial with cap. Add 15 mmol 1-bromoheptane to it and reweigh it to get the actual mass used. Add 8 mL ether (from your stock vial) and swirl to dissolve.

Add 2 mL ether (by syringe) to the reaction flask and begin stirring.

Add 1.5 mL of the prepared 1-bromoheptane solution. Stir with slight warming (cupping the flask with your hand works well or you can use a warm water bath (40-45 °C) but take care to not get water into the flask!).

Watch carefully for signs that the Grignard reaction has commenced. These include bubbles coming off the surface of the metal, gray/brown cloudiness to the solution, and signs of corrosion on the surface of the metal. If the reaction has not started on its own within 10 min of warming, then you will need to "jump start" it.

To jump start the reaction, discontinue warming and disassemble the rb flask from the rest of the apparatus. Working quickly, carefully use a dry spatula or glass rod to crush or break in half some of the Mg pieces. Doing so exposes unoxidized reactive surfaces on the metal which then allow the reaction to begin.

Once the reaction has started begin adding the rest of the 1-bromoheptane solution over a period of about 15 minutes. Maintain a rate of addition such that the solution refluxes on its own without external heating. If the addition is done too rapidly then the reaction may threaten to become too vigorous, in which case you should cool the flask briefly on a cold water bath (just enough to slow down the reaction take care not to stop it entirely). If the addition is too slowly, the reaction will start to subside as it runs out of starting material. If this happens to the point of it appearing that the reaction may stop altogether then it is important that you add more 1-bromoheptane solution and/or apply gentle warming to get it going again.

After all of the alkyl halide has been added, add 2.0 mL ether to the vial it was in, rinsing to dissolve any remaining 1-bromoheptane and then add this rinse solution to the reaction flask. The reaction will naturally start to die out once all of the halide has been added. Once it starts to do this, but before it stops entirely, apply heat from a warm water bath so as to keep it refluxing. Reflux on the warm water bath for 10-15 min and then cool to room temperature. During this period go on to get ready for the next step.

Reaction of the Grignard Reagent with the Aldehyde

Add 15 mmol octanal to approx 2 mL of anhydrous ether in a dry vial. Using the same syringe used for the alkyl halide addition to add this solution to the Grignard reagent. The addition can be done quickly but watch out for the exothermicity and do not add it so quickly that the solution begins to boil. Continue stirring as the reaction cools to room temperature and the adduct forms over the course of approx 20 min.

Work-up

(Note: for the remaining procedures the ether does not need to be anhydrous.)

Cautiously neutralize the solution by adding 12 mL 6M HCl. This step serves to both protonate the adduct alkoxide and to dissolve any remaining Mg(s).

Add 10 mL ether and transfer the entire contents to a separatory funnel.

Transfer the reaction mixture into a separatory funnel and allow the layers to separate. Make sure there are two distinct layers with no solids present and, if necessary, add more ether and/or HCl as needed to dissolve remaining solids.

 Drain the lower aqueous layer into a flask or beaker and then transfer the organic layer through the top of the sep funnel into a dry 125-mL Erlenmeyer flask.

Return the aqueous layer to the separatory funnel and extract it with an additional 5 mL ether.

Wash the combined ether layers with water (2 x 5 mL) and then dry the liquid over sodium sulfate.

Decant the liquid into a dry pre-weighed round bottom and remove the ether solvent on the rotary evaporator (Mohrig pp 139-140).

Determine the yield of the crude and, if time permits, recrystallize it from ethyl acetate.

Characterization. Obtain the mp (lit mp1 = 52-52.6 °C) as well as 1H and IR spectra of the final product. One group will also be asked to obtain a C-13 NMR.

Literature Reference
(1) Breusch, F. L.; Sokullu, S. Chemische Berichte 1953, 86, 678-84.