ChemicalBook--->CAS DataBase List--->850222-40-1

850222-40-1

850222-40-1 Structure

850222-40-1 Structure
IdentificationBack Directory
[Name]

(S)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one
[CAS]

850222-40-1
[Synonyms]

He sprayed him with impurities 6
He sprayed him with impurities 13
(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 PropertiesBack 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
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H411-H317-H319-H315-H225
[Precautionary statements ]

P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
[HS Code ]

2914500090
Hazard InformationBack 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]

850222-41-2

850222-41-2

(S)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one

850222-40-1

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
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-3-(dimethylamino)-1-(3-methoxyphenyl)-2-methylpropan-1-one(850222-40-1)1HNMR
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