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Analysis of 3 Unknown Chemicals

Extracts from this document...

Introduction

´╗┐Identification of Unknown Compounds in Organic Chemistry: #35A, #35B, and #35C 5-11-2012 Introduction There are many reasons for identifying an unknown compounds. The reasons range from medical purposes, such as determining if the unknown could cause ailments in living things or knowing what chemical compounds are needed to make antibiotics to other purposes such as knowing the exact compound has to be used to make certain foods. The purpose of this experiment was to determine the identity of unknown #35A, #35B, and #35C by making use of their physical characteristics, solubility tests, chemical classification tests, and spectroscopy data (Pavia, Lampman, Kriz, & Engel, 2006). First of all, a preliminary classification of the unknown compounds #35A, #35B, and #35C was done by recording the physical state, color, and odor of the unknown compounds. Following that, the melting point for unknown #35A and #35C was obtained; whereas, the boiling point for #35B was obtained due to its physical state, and solubility tests were performed as outlined the Figure 1. Figure 1. Solubility chart for compounds containing various functional groups (Pavia, Lampman, Kriz, & Engel, 2006). After that, the IR and NMR spectra were determined for the unknown compounds in order to provide more evidence for the preliminary results and confirm the identity of the unknown compounds #35A, #35B, and #35C. The chemical classification tests chosen for this experiment were the following: DNPH Test, Beistein Test, Tollens Test, Iodoform Test, HNO2 Test, Lucas Test, and Acetyl Chloride Test. The DNPH Test is used to identify aldehydes and ketones and the Formation of a precipitate is a positive test. The mechanism is shown in Figure 2. ...read more.

Middle

The IR spectrum for unknown #35A. Table 2. The peaks obtained during from the IR and their corresponding functional groups for unknown #35A. Peaks Functional Group 2907.7 CH3 1597.0 C6H6 3322.8 OH (or maybe H2O) Figure 8. The mass spectra for unknown #35A. Table 3. The molecular peaks and corresponding fragments for unknown #35A. m/z fragment M+-15 155 28 Figure 9. The NMR analysis of unknown #35A. (1H-NMR (300 MHz; CDCl3): δ 7.78-7.73 (m, 5H), 7.55-7.51 (m, 5H), 2.52-2.51 (m, 9H), 2.01 (s, 0H).) Table 4. The results from the NMR spectra analysis for unknown #35A. Name Shift Range Hs Class J (Hz) A 7.753 7.78-7.73 5 m B 7.531 7.55-7.51 5 m C 2.519 9 dd 1.51, 0.51 D 2.007 0 s Unknown #35B The unknown #35B is a colorless liquid with an ammoniacal odor, which has its boiling point at 60°C. The solubility tests showed that it is insoluble in water but soluble in both NaOH and NaHCO3. Table 5. The results of the chemical classification tests for unknown #35B. Test Name Observations Conclusion Any additional notes HNO2 Test Bubbles appeared quickly Indicates a primary amine Only a small amount of bubbles Figure 10. The IR spectrum for unknown #35B. Table 6. The peaks obtained during from the IR and their corresponding functional groups for unknown #35B. Peak Functional Group 3359.1/3285.5 R2NH 2961.4 CH3 2876.5 CH3 Figure 11. The mass spectra for unknown #35B. Table 7. The molecular peaks and corresponding fragments for unknown #35B. m/z fragment M+-15 44 58 Figure 12. The NMR analysis of unknown #35B.(1H-NMR (300 MHz; CDCl3): δ 2.40 (dt, J = 12.6, 6.3 Hz, 1H), 1.01-0.88 (m, 3H), 0.65 (d, J = 5.2 Hz, 3H), 0.55-0.50 (m, 2H).) ...read more.

Conclusion

The analysis of the mass spectrum supports this suggestion as the molecular weight is m/z =184, which would explain two phenyl groups as substituents. In order to determine the exact structure of unknown #35B, the mass spectra of the compound was analyzed and the mass spectrum shows peaks at m/z=77, 105, and 167, which represent the fragments shown in Table 11. The most prominent peak is at m/z =105, which presents a fragment with the molecular formula of C7H5O. As the NMR data only shows signals A-D as shown in Table 12, the unknown compound has to have two phenyl groups as substituents. Thus, unknown #35C is diphenylmethanol. Figure 18. Unknown #35C is diphenylmethanol. Conclusion Unknown #35A A variety of tests were performed in order to determine the identity of unknown #35A. Based on chemical classification tests as well as data from spectroscopy, it was possible to identify unknown #35A as 4-bromo-acetophenone. The data obtained in this experiment was consistent with the data in the literature. Unknown #35B A variety of tests were performed in order to determine the identity of unknown #35B. Based on chemical classification tests as well as data from spectroscopy, it was possible to identify unknown #35B as 2-aminobutane. The data obtained in this experiment was not conclusive to due to inconclusive chemical shifts in the NMR analysis; however, the results from the chemical tests and spectroscopic data are consistent with the data on 2-aminobutane in the literature. Unknown #35C A variety of tests were performed in order to determine the identity of unknown #35C. Based on chemical classification tests and data from spectroscopy, it was possible to identify unknown #35C as diphenylmethanol. The data obtained in this experiment was conclusive and consistent with the data in the literature. ...read more.

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