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| CAS No.: | 114133-37-8 |
|---|---|
| Name: | (s)-3-(methylamino)-1-phenylpropanol (114133-37-8) |
| Molecular Structure: | |
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| 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 |
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- 1219080-61-1IMIDAZOLE-2-BORONIC ACID
- 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | Yield |
|---|---|
| With potassium iodide In methanol; water at 80℃; for 8h; | 75% |
| With sodium iodide In water |
- 114133-37-8
(S)-N-methyl-3-amino-1-phenyl-1-propanol
| Conditions | Yield |
|---|---|
| With hydrogenchloride In methanol; water at 90℃; for 1.5h; | 67% |
- 114133-37-8
(S)-N-methyl-3-amino-1-phenyl-1-propanol
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride In tetrahydrofuran Heating; Yield given; | |
| With lithium aluminium tetrahydride |
- Total:22 Page 1 of 1 1
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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%.
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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%.
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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