CAS No.114133-37-8,(s)-3-(methylamino)-1-phenylpropanol (114133-37-8) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	114133-37-8
Name:	(s)-3-(methylamino)-1-phenylpropanol (114133-37-8)
Article Data:	31

Formula:	C₁₀H₁₅NO
Molecular Weight:	165.235
Synonyms:	Benzenemethanol, a-[2-(methylamino)ethyl]-, (S)-;(S)-3-(Methylamino)-1-phenyl-1-propanol;(S)-N-Methyl-3-phenyl-3-hydroxypropylamine;N-Methyl((S)-3-hydroxy-3-phenylpropyl)amine;(S)-3-(methylamino)-1-phenylpropanol;
Density:	1.018 g/cm³
Boiling Point:	286.118 °C at 760 mmHg
Flash Point:	114.753 °C
PSA:	32.26000
LogP:	1.72040

Synthetic route

: 76183-10-3, 134619-76-4
(S)-3-hydroxy-N-methyl-3-phenylpropanamide

: 114133-37-8
(S)-N-methyl-3-amino-1-phenyl-1-propanol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In diethyl ether	98%
With lithium aluminium tetrahydride In tetrahydrofuran for 2h; Heating;	97.6%
With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 25℃;	90%
With lithium aluminium tetrahydride In tetrahydrofuran for 6h; Reflux;	89%

: 115290-77-2
(1S) 3-phenyl-3-hydroxypropyl methanesulfonate

: 74-89-5
methylamine

: 114133-37-8
(S)-N-methyl-3-amino-1-phenyl-1-propanol

Conditions

Conditions	Yield
In tetrahydrofuran; water at 65℃; for 3h;	96%
In tetrahydrofuran; water at 70℃;	93%
In tetrahydrofuran; water at 70℃; for 4h;	90%
In tetrahydrofuran; water at 60 - 65℃; for 4h;	82%

: 2538-50-3
β-Methylaminoethyl phenyl ketone hydrochloride

: 114133-37-8
(S)-N-methyl-3-amino-1-phenyl-1-propanol

Conditions

Conditions	Yield
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%

: 27152-62-1
3-(N-methylamino)propiophenone

: 114133-37-8
(S)-N-methyl-3-amino-1-phenyl-1-propanol

Conditions

Conditions	Yield
With (S)-(1,1'-binaphthalene)-2,2'-diylbis(diphenylphosphine) In acetonitrile at 20℃; for 5h; Solvent; Reagent/catalyst;	89.93%

: 502697-61-2
(S)-N-(ethoxycarbonyl)-3-amino-1-phenyl-1-propanol

: 114133-37-8
(S)-N-methyl-3-amino-1-phenyl-1-propanol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran for 1h; Heating;	88%

: 114133-36-7
(S)-(-)-3-iodo-1-phenyl-1-propanol

: 74-89-5
methylamine

: 114133-37-8
(S)-N-methyl-3-amino-1-phenyl-1-propanol

Conditions

Conditions	Yield
In tetrahydrofuran; water Ambient temperature;	86%
In tetrahydrofuran Ambient temperature;	85%
In tetrahydrofuran; water for 22h;

: 762273-00-7
(S)-(-)-N-(tert-butoxycarbonyl)-3-amino-1-phenylpropan-1-ol

: 114133-37-8
(S)-N-methyl-3-amino-1-phenyl-1-propanol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran for 5.5h; Heating;	78%

: 100306-34-1
3-chloro-1-phenylpropanol

: 74-89-5
methylamine

: 114133-37-8
(S)-N-methyl-3-amino-1-phenyl-1-propanol

Conditions

Conditions	Yield
With potassium iodide In methanol; water at 80℃; for 8h;	75%
With sodium iodide In water

: (6S)-2-((S)-1-triisopropylsilyloxyethyl)-3-methyl-6-phenyl-1,3-oxazinane

: 114133-37-8
(S)-N-methyl-3-amino-1-phenyl-1-propanol

Conditions

Conditions	Yield
With hydrogenchloride In methanol; water at 90℃; for 1.5h;	67%

: ((S)-3-Hydroxy-3-phenyl-propyl)-carbamic acid methyl ester

: 114133-37-8
(S)-N-methyl-3-amino-1-phenyl-1-propanol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran Heating; Yield given;
With lithium aluminium tetrahydride

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Specification

The Benzenemethanol, a-[2-(methylamino)ethyl]-, (aS)- is an organic compound with the formula C₁₀H₁₅NO. The CAS registry number of this chemical is 114133-37-8. And the systematic name is (1S)-3-(methylamino)-1-phenylpropan-1-ol.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.34; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 12.47 Å²; (7)Index of Refraction: 1.53; (8)Molar Refractivity: 50.2 cm³; (9)Molar Volume: 162.3 cm³; (10)Polarizability: 19.9×10^-24 cm³; (11)Surface Tension: 39.4 dyne/cm; (12)Density: 1.017 g/cm³; (13)Flash Point: 114.8 °C; (14)Enthalpy of Vaporization: 55.47 kJ/mol; (15)Boiling Point: 286.1 °C at 760 mmHg; (16)Vapour Pressure: 0.00126 mmHg at 25°C.

Preparation of Benzenemethanol, a-[2-(methylamino)ethyl]-, (aS)-: It can be obtained by methylamine and (S)-3-Iodo-1-phenyl-1-propanol. This reaction needs solvents tetrahydrofuran and H₂O at ambient temperature. The yield is 86%.

Uses of Benzenemethanol, a-[2-(methylamino)ethyl]-, (aS)-: It can react with 1-chloro-4-trifluoromethyl-benzene to get (S)-Fluoxetine. This reaction needs reagent NaH and solvent dimethylsulfoxide at temperature of 90-100 °C. The reaction time is 1 hours. The yield is 71%.

People can use the following data to convert to the molecule structure.
1. SMILES:O[C@H](c1ccccc1)CCNC
2. InChI:InChI=1/C10H15NO/c1-11-8-7-10(12)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3/t10-/m0/s1
3. InChIKey:XXSDCGNHLFVSET-JTQLQIEIBS
4. Std. InChI:InChI=1S/C10H15NO/c1-11-8-7-10(12)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3/t10-/m0/s1
5. Std. InChIKey:XXSDCGNHLFVSET-JTQLQIEISA-N