| Identification | Back Directory | [Name]
2-(3-aminophenyl)-2-methylpropanenitrile | [CAS]
915394-29-5 | [Synonyms]
2-(3-aminophenyl)-2-methylpropanenitrile Benzeneacetonitrile, 3-amino-α,α-dimethyl- 2-(3-aminophenyl)-2-methylpropanenitrile ISO 9001:2015 REACH | [Molecular Formula]
C10H12N2 | [MDL Number]
MFCD19441141 | [MOL File]
915394-29-5.mol | [Molecular Weight]
160.22 |
| Chemical Properties | Back Directory | [storage temp. ]
2-8°C(protect from light) | [InChI]
InChI=1S/C10H12N2/c1-10(2,7-11)8-4-3-5-9(12)6-8/h3-6H,12H2,1-2H3 | [InChIKey]
HNABISIMXKEHQF-UHFFFAOYSA-N | [SMILES]
C(#N)C(C1=CC=CC(N)=C1)(C)C |
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of 2-(3-aminophenyl)-2-methylpropionitrile from 2-methyl-2-(3-nitrophenyl)propanenitrile: 2-methyl-2-(3-nitrophenyl)propanenitrile (0.6 g, 3.15 mmol) prepared in step (1) was dissolved in methanol, and stirred until it was completely dissolved. Pd/C catalyst (0.06 g, 0.56 mmol) was added to the reaction solution and the reaction was stirred at room temperature under hydrogen atmosphere for about 2 hours. Upon completion of the reaction, the reaction mixture was filtered through a diatomite pad under reduced pressure and the diatomite pad was washed with methanol to recover the product. The filtrate was concentrated under reduced pressure to afford the target compound 2-(3-aminophenyl)-2-methylpropionitrile (0.48 g, 95% yield). The product was characterized by 1H-NMR (300 MHz, DMSO-d6): δ 7.06 (t, 1H), 6.71 (s, 1H), 6.61 (d, 1H), 6.52 (d, 1H), 5.21 (s, 2H), 1.61 (s, 6H). Mass spectrum (ESI+, m/z): 161 [M + H]+. | [References]
[1] Patent: EP2876107, 2015, A1. Location in patent: Paragraph 0086 [2] Patent: US2015/191450, 2015, A1. Location in patent: Paragraph 0179-0181 [3] Patent: WO2006/123145, 2006, A1. Location in patent: Page/Page column 49 [4] Patent: US2009/137595, 2009, A1 |
|
| Company Name: |
NovoChemy Ltd.
|
| Tel: |
86-(0)21-31261262 373522135 |
| Website: |
www.novochemy.com |
|