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2538-50-3

Basic Information
CAS No.: 2538-50-3
Name: 3-METHYLAMINO-1-PHENYLACETONE HYDROCHLORIDE
Article Data: 6
Molecular Structure:
Molecular Structure of 2538-50-3 (3-METHYLAMINO-1-PHENYLACETONE HYDROCHLORIDE)
Formula: C10H14N.ClH
Molecular Weight: 199.68
Synonyms: 1-Propanone,3-(methylamino)-1-phenyl-, hydrochloride (9CI);Propiophenone,3-(methylamino)-, hydrochloride (6CI,7CI,8CI);3-(N-Methylamino)propiophenone hydrochloride;3-Methylaminopropiophenone;
EINECS: C10H14ClNO
Density: 1.002g/cm3
Melting Point: 139-141 °C(Solv: acetone (67-64-1))
Boiling Point: 274.7°C at 760 mmHg
Flash Point: 114.1°C
PSA: 29.10000
LogP: 2.67170
Synthetic route
50-00-0

formaldehyd

593-51-1

methylamine hydrochloride

98-86-2

acetophenone

2538-50-3

β-Methylaminoethyl phenyl ketone hydrochloride

Conditions
ConditionsYield
With hydrogenchloride In ethanol; water at 110℃; for 20h; Sealed tube;70%
With hydrogenchloride In ethanol; water at 110℃; for 20h;39.8%
With hydrogenchloride In ethanol at 110℃;
With toluene-4-sulfonic acid In ethanol at 110℃; for 20h;
879-72-1

3-(dimethylamino)propiophenone hydrochloride

suitable amine

suitable amine

2538-50-3

β-Methylaminoethyl phenyl ketone hydrochloride

2538-50-3

β-Methylaminoethyl phenyl ketone hydrochloride

115290-81-8

(R)-N-methyl-3-phenyl-3-hydroxypropylamine

Conditions
ConditionsYield
With Rh[((R,R)-BenzP*)(cod)]SbF6; hydrogen; caesium carbonate; zinc(II) chloride In methanol at 20℃; under 19001.3 Torr; for 48h; Autoclave; enantioselective reaction;93%
Multi-step reaction with 2 steps
1: potassium borohydride / tetrahydrofuran / 66 °C
2: sodium hydrogencarbonate / chloroform; water
View Scheme
2538-50-3

β-Methylaminoethyl phenyl ketone hydrochloride

114133-37-8

(S)-N-methyl-3-amino-1-phenyl-1-propanol

Conditions
ConditionsYield
With Rh[((S,S)-BenzP*)(cod)]SbF6; hydrogen; caesium carbonate; zinc(II) chloride In methanol at 20℃; under 19001.3 Torr; for 20h; Autoclave; enantioselective reaction;92%
With hydrogen; potassium carbonate; [Rh{(SC,RP)-duanphos}(norbornadiene)]SbF6 In methanol at 20℃; under 7500.6 Torr; for 12h;90%
With [Rh((S,S)-BenzP*)(cod)]SbF6; hydrogen; magnesium sulfate; potassium carbonate In ethyl acetate at 50℃; under 37503.8 Torr; for 1h; enantioselective reaction;80%
2538-50-3

β-Methylaminoethyl phenyl ketone hydrochloride

42142-52-9

3-methylamino-1-phenylpropan-1-ol

Conditions
ConditionsYield
With sodium tetrahydroborate In methanol at 20℃; for 1h;90%
With sodium tetrahydroborate In methanol at 20℃; for 1h;
2538-50-3

β-Methylaminoethyl phenyl ketone hydrochloride

57256-92-5

3-methylamino-1-phenyl-propan-1-ol; hydrochloride

Conditions
ConditionsYield
With potassium borohydride In tetrahydrofuran at 66℃;82%
2538-50-3

β-Methylaminoethyl phenyl ketone hydrochloride

N-(3-hydroxy-3-phenylpropyl)-N-methylacetamide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: NaBH4 / methanol / 1 h / 20 °C
2: CH2Cl2 / 0.17 h / 0 °C
View Scheme
2538-50-3

β-Methylaminoethyl phenyl ketone hydrochloride

(S)-N-(3-hydroxy-3-phenylpropyl)-N-methylacetamide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: Rh[((S,S)-BenzP*)(cod)]SbF6; zinc(II) chloride; caesium carbonate; hydrogen / methanol / 20 h / 20 °C / 19001.3 Torr / Autoclave
2: dichloromethane / 0.17 h / 0 °C
View Scheme
2538-50-3

β-Methylaminoethyl phenyl ketone hydrochloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: sodium tetrahydroborate / methanol / 1 h / 20 °C
2.1: sodium hydride / dimethyl sulfoxide / 0.5 h / 55 °C / Inert atmosphere
2.2: 1 h / 90 °C
View Scheme
2538-50-3

β-Methylaminoethyl phenyl ketone hydrochloride

1254705-11-7

4-(3-(methylamino)-1-phenylpropyl)phenol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium tetrahydroborate / methanol / 1 h / 20 °C
2: trifluoroacetic acid / 48 h / 20 °C
View Scheme
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Chemistry

IUPAC Name: 3-(Methylamino)-1-phenylpropan-1-one chloride
Synonyms of 1-Propanone,3-(methylamino)-1-phenyl-, hydrochloride (1:1) (CAS NO.2538-50-3): 3-Methylamino-1-phenylpropan-1-one hydrochloride ;3-(Methylamino)-1-phenyl-1-propanone hydrochloride
CAS NO: 2538-50-3
Molecular Formula of 1-Propanone,3-(methylamino)-1-phenyl-, hydrochloride (1:1) (CAS NO.2538-50-3): C10H14ClNO
Molecular Weight: 199.67726
Molecular Structure:

SMILES: CNCCC(=O)c1ccccc1.Cl 
InChI: InChI=1/C10H13NO.ClH/c1-11-8-7-10(12)9-5-3-2-4-6-9;/h2-6,11H,7-8H2,1H3;1H 
InChIKey: VIHLSOFMDHEDRK-UHFFFAOYAP
Std. InChI: InChI=1S/C10H13NO.ClH/c1-11-8-7-10(12)9-5-3-2-4-6-9;/h2-6,11H,7-8H2,1H3;1H 
Std. InChIKey: VIHLSOFMDHEDRK-UHFFFAOYSA-N

Uses

 1-Propanone,3-(methylamino)-1-phenyl-, hydrochloride (1:1) (CAS NO.2538-50-3) is used as antidepressant fluoxetine intermediate.