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| | 4-Amino-3-methylbenzonitrile Basic information | | Uses |
| | 4-Amino-3-methylbenzonitrile Chemical Properties |
| Melting point | 93-94°C | | Boiling point | 304.5±30.0 °C(Predicted) | | density | 1.10±0.1 g/cm3(Predicted) | | storage temp. | Keep in dark place,Inert atmosphere,Room temperature | | solubility | soluble in Methanol | | form | powder to crystal | | pka | 1.58±0.10(Predicted) | | color | White to Gray to Brown | | BRN | 3235728 | | InChI | 1S/C8H8N2/c1-6-4-7(5-9)2-3-8(6)10/h2-4H,10H2,1H3 | | InChIKey | MBZDCUMFFPWLTJ-UHFFFAOYSA-N | | SMILES | Cc1cc(ccc1N)C#N | | CAS DataBase Reference | 78881-21-7(CAS DataBase Reference) |
| | 4-Amino-3-methylbenzonitrile Usage And Synthesis |
| Uses | 4-Amino-3-methylbenzonitrile is a useful research chemical used in organic synthesis and other chemical processes. | | Chemical Properties | Light yellow powder | | Synthesis | General procedure for the synthesis of 4-amino-3-methylbenzonitrile from 3-methyl-4-nitrobenzonitrile: 9.89 g (61 mmol, 1 equiv.) of 3-methyl-4-nitrobenzonitrile was added to a stirred 100 mL tetrahydrofuran (THF) solution at room temperature. Subsequently, 1 g of 10% palladium carbon catalyst was added. Next, 25 mL of methanol was added. The reaction system was placed in a hydrogenation unit and the reaction was carried out at a hydrogen pressure of 50 psi. When hydrogen consumption was no longer observed, the reaction was stopped and filtered through diatomaceous earth to remove the catalyst. The product was purified by column chromatography using a 1:1 mixture of hexane and dichloromethane as the mobile phase. 7.5 g of 4-amino-3-methylbenzonitrile in beige powder form was finally obtained in 93% yield. The 1H-NMR (DMSO-d6) data of the product were as follows: δ 2.27 (3H, s), 6.06 (2H, s), 6.41 (1H, d), 6.46 (1H, s), 7.30 (1H, d). | | References | [1] Journal of Medicinal Chemistry, 1999, vol. 42, # 18, p. 3572 - 3587
[2] Patent: US2017/44373, 2017, A1. Location in patent: Paragraph 0227; 0228
[3] Patent: US6353006, 2002, B1. Location in patent: Page column 23
[4] Patent: US2005/54655, 2005, A1. Location in patent: Page/Page column 15
[5] Patent: US2004/44203, 2004, A1. Location in patent: Page 27 |
| | 4-Amino-3-methylbenzonitrile Preparation Products And Raw materials |
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