Molecular modeling predictions of organic reactions (Example)

Molecular modeling predictions of organic reactions (Example)

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Students name: Tutor’s name: Course: Date: Molecular Modeling Predictions of Organic Reactions Abstract This project is based on redox reactions. The first step is determining the nucleophilic nitrogen atom in the molecule structure of 4-Dimethyaminopyridine (DMAP). A Nucleophilic atom in the one that donates an electron pair so that a more stable molecule is formed. DMAP has two nitrogen atoms in its chemical structure but only one donates an electron for the bonding 1. The Nuclear Magnetic Resonance is used to determine the structure of the DMAP molecule the by-products. A modeling software called PC Spartan Plus is used to identify which nitrogen in the DMAP structure is nucleophilic 2. The second phase is about reducing the (R)-(+)-3-Methylcyclohexanone molecule and then using the 1H-NMR to predict the stereochemistry of the product and its structure. 1Fu Gregory C. “Enantioselective nucleophilic catalysis with “planar-chiral” heterocycles.” Accounts of chemical research 33.6 (2000): analysis and therefore not what the group had expected. We differentiated the two products by analyzing their molecular structures. One is a cis- hydroxyl while the other is a trans hydroxyl. 5Knölker Hans-Joachim and Kethiri R. Reddy. “Isolation and synthesis of biologically active carbazole alkaloids.” Works Cited Fu Gregory C. “Enantioselective nucleophilic catalysis with “planar-chiral” heterocycles.” Accounts of chemical research 33.6 (2000): 412-420. Garrett Christine E. and Gregory C. Fu. “Nucleophilic Catalysis with π-Bound Nitrogen Heterocycles: Synthesis of the First Ruthenium Catalysts and Comparison of the Reactivity and the Enantioselectivity of Ruthenium and Iron Complexes.” Journal of the American Chemical Society 120.30 (1998): 7479-7483. Knölker Hans-Joachim and Kethiri R. Reddy. “Isolation and synthesis of biologically active carbazole alkaloids.” Chemical reviews 102.11 (2002): 4303-4428. Noyori Ryoji and Takeshi Ohkuma. “Asymmetric Catalysis by Architectural and Functional Molecular Engineering: Practical Chemo‐and Stereoselective Hydrogenation of Ketones.” Angewandte Chemie International Edition 40.1 (2001): 40-73. []

Order Description:

using the lab manual attached. I need to write a 4 page single spaced, for Project 1 on the 2 experiments “Which Nitrogen” and “reduction of (R)-(+)-3-methylclyclohexanonection”. The lab report should have 1pg for procedure, 1pg for results, 1pg for discussion and 1pg for conclusion.

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