| Identification | Back Directory | [Name]
(S)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one | [CAS]
850222-40-1 | [Synonyms]
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(S)-3-Dimethylamino-1-(3-methoxyphenyl)-2-methyl-1-propanone
(S)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one
(s)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-methoylpropan-1-one
(2S)-3-(DiMethylaMino)-1-(3-Methoxyphenyl)-2-Methylpropan-1-one
(2S)-3-(DIMETHYLAMINO)-1-(3-METHOXYPHENYL)-2-METHYL-1-PROPANONE
(2S)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-methyl-propan-1...
1-Propanone,3-(diMethylaMino)-1-(3-Methoxyphenyl)-2-Methyl-, (2S)- | [EINECS(EC#)]
617-655-9 | [Molecular Formula]
C13H19NO2 | [MDL Number]
MFCD09753761 | [MOL File]
850222-40-1.mol | [Molecular Weight]
221.3 |
| Chemical Properties | Back Directory | [Boiling point ]
315.8±22.0 °C(Predicted) | [density ]
1.012 | [storage temp. ]
2-8°C | [pka]
8.87±0.28(Predicted) | [Appearance]
Light yellow to yellow Liquid | [InChI]
InChI=1S/C13H19NO2/c1-10(9-14(2)3)13(15)11-6-5-7-12(8-11)16-4/h5-8,10H,9H2,1-4H3/t10-/m0/s1 | [InChIKey]
YHCVGGJYRMYIGG-JTQLQIEISA-N | [SMILES]
C(C1=CC=CC(OC)=C1)(=O)[C@@H](C)CN(C)C |
| Hazard Information | Back Directory | [Uses]
(S)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one is an organic intermediate, commonly used as an organic synthetic material, mostly used in industrial and experimental research. | [Synthesis]
2. Preparation of (S)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one (Ia): (S)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one (2R,3R)-2,3-dibenzoyloxy)succinate (968 g, 1.67 mmol, ee 98%) was suspended in a 10 L double jacketed reactor equipped with an electric impeller stirrer. tert-butyl methyl ether (6 L) in a 10 L double-jacketed reactor equipped with an electric impeller stirrer, a gas inlet tube, an R100 temperature measuring device, and an oil-based cooling/heating system. Diethylamine (384 g, 5.25 mol) was then added. The reaction mixture was stirred at 20 °C to 25 °C for 90 min, after which the solids were removed by siphoning. The filtrate was concentrated under reduced pressure at 40°C to a pressure of 4 mbar to afford (S)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one (356.7 g, 96.5%, ee 98%) as a colorless oil. | [References]
[1] Patent: WO2008/12047, 2008, A1. Location in patent: Page/Page column 19-20
[2] Patent: WO2008/12283, 2008, A1. Location in patent: Page/Page column 8
[3] Patent: WO2008/12283, 2008, A1. Location in patent: Page/Page column 9
[4] Patent: US2011/190267, 2011, A1. Location in patent: Page/Page column 67 |
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