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Table 4 Evaluation of green chemistry metrics for the synthesis of inhibitors (3

ID: 562429 • Letter: T

Question

Table 4 Evaluation of green chemistry metrics for the synthesis of inhibitors (3sp) Ethynylcyclohexane (1s) ACN-MeOH a-Ketoamide (3sp) Reactant A Reactant B Solvent Auxiliary Product 0.7 g 0.8 g 54.6 g 0.0065 mol 0.004 mol FW 108.09 FW 199.09 1.15 g 0.0034 mol FW 337.16 You wll need to calculate the following (the catalytic CuCl is recovered thus is not involved in the calculations below) Moles of Product Moles of Limiting Reagent x 100 1. Percent Yield Total Waste in Kg Total Product in Kg 2. E-Factor MW of Productx 100 3. Atom Economy 4. Atom Efficiency 5. Carbon Efficiency Total MW of reactants = Percent Yield x Atom Economy Moles of Carbon in Product Moles of Carbon in Reactants x 100 Mass of Product 6. Reaction Mass Efficiency =( Mas of Reactant) x 100

Explanation / Answer

1.

Moles of product = .0034

Moles of limiting reactant =.004

% yield =(0.0034/0.004)*100

=85 %

2.

Total wastage =(0.7+0.8+54.6-1.15)= 54.95 g

Total product =1.15 g

E factor = 54.95 /1.15

= 47.78

3.

MW of product= (1.15/.0034)

= 338.23 g/mol

MW of reactant 1= .7/.0065

= 107.69 g/mol

MW of reactant 2 =0.8/0.004

= 200 g/mol

Total MW of reactant = 200+ 107.69

= 307.69 g/mol

Atom efficiency=  (338.23/307.69)*100

=109.92 %

4

Atom efficiency = .85*1.0992 = .9342

= 93.42 %

5.

Reaction mass efficiency = (1.15/(.7+.8))*100

= (1.15/1.5)*100

=76.67 %