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| | Ethanone, 1-(3-amino-4-methylphenyl)- (9CI) Basic information |
| | Ethanone, 1-(3-amino-4-methylphenyl)- (9CI) Chemical Properties |
| Melting point | 83 °C | | Boiling point | 306.4±22.0 °C(Predicted) | | density | 1.069±0.06 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C | | pka | 3.27±0.10(Predicted) | | form | solid | | Appearance | Off-white to yellow Solid | | InChI | 1S/C9H11NO/c1-6-3-4-8(7(2)11)5-9(6)10/h3-5H,10H2,1-2H3 | | InChIKey | MCQYTLIHRDCHHT-UHFFFAOYSA-N | | SMILES | O=C(C)C1=CC(N)=C(C)C=C1 |
| WGK Germany | WGK 3 | | HS Code | 2922390090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Oral |
| | Ethanone, 1-(3-amino-4-methylphenyl)- (9CI) Usage And Synthesis |
| Synthesis | General procedure for the synthesis of 3-amino-4-methylacetophenone from 3-nitro-4-methylacetophenone: 5% palladium-carbon catalyst (wet state, 100 mg) was added to a solution of ethanol (12 mL) containing 3-nitro-4-methylacetophenone (0.4 g, 2.23 mmol). The reaction flask was evacuated and displaced with hydrogen (repeated three times). After stirring the reaction mixture under hydrogen atmosphere for 3 hours, the catalyst was removed by filtration and the filtrate was concentrated to give 3-amino-4-methylacetophenone (330 mg, 99% yield). | | References | [1] Patent: WO2003/90912, 2003, A1. Location in patent: Page/Page column 129
[2] Helvetica Chimica Acta, 2010, vol. 93, # 7, p. 1261 - 1273
[3] ACS Medicinal Chemistry Letters, 2018, vol. 9, # 8, p. 854 - 859
[4] ACS Medicinal Chemistry Letters, 2015, vol. 6, # 7, p. 798 - 803
[5] Patent: CN105481790, 2016, A. Location in patent: Paragraph 0130; 0131; 0132; 0133 |
| | Ethanone, 1-(3-amino-4-methylphenyl)- (9CI) Preparation Products And Raw materials |
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