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| CAS No.: | 115290-81-8 |
|---|---|
| Name: | (R)-(+)-3-(N-METHYLAMINO)-1-PHENYL-1-PROPANOL |
| Article Data: | 36 |
| Molecular Structure: | |
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| Formula: | C10H15NO |
| Molecular Weight: | 165.235 |
| Synonyms: | (R)-(+)-3-(N-METHYLAMINO)-1-PHENYL-1-PROPANOL;(R)-3-(methylamino)-1-phenylpropanol;(1R)-(+)-3-(Methylamino)-1-phenylpropan-1-ol;(3R)-N-Methyl-3-hydroxy-3-phenylpropylamine;(R)-3-Hydroxy-N-methyl-3-phenylpropylamine;(R)-N-Methyl-3-hydroxy-3-phenylpropylamine;(R)-N-Methyl-3-phenyl-3-hydroxypropylamine;Atomoxetine Related Compound A (10 mg) (3-(Methylamino)-1-phenylpropan-1-ol) |
| Density: | 1.017 g/cm3 |
| Boiling Point: | 286.1 °C at 760 mmHg |
| Flash Point: | 114.8 °C |
| PSA: | 32.26000 |
| LogP: | 1.72040 |
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(R)-3-iodo-1-phenyl-1-propanol
- 74-89-5
methylamine
- 115290-81-8
(R)-N-methyl-3-phenyl-3-hydroxypropylamine
| Conditions | Yield |
|---|---|
| In tetrahydrofuran; water at 23℃; for 2h; | 99% |
| In tetrahydrofuran; water at 25℃; for 12h; Inert atmosphere; enantioselective reaction; | 98% |
| In tetrahydrofuran; water at 20℃; | 85% |
- 502697-62-3
(R)-(3-hydroxy-3-phenylpropyl)carbamic acid ethyl ester
- 115290-81-8
(R)-N-methyl-3-phenyl-3-hydroxypropylamine
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride In tetrahydrofuran for 2h; Heating; | 93% |
| With lithium aluminium tetrahydride In tetrahydrofuran Heating; | 89% |
- 2538-50-3
β-Methylaminoethyl phenyl ketone hydrochloride
- 115290-81-8
(R)-N-methyl-3-phenyl-3-hydroxypropylamine
| Conditions | Yield |
|---|---|
| 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 |
- 115290-78-3
(1R) 3-phenyl-3-hydroxypropyl methanesulfonate
- 74-89-5
methylamine
- 115290-81-8
(R)-N-methyl-3-phenyl-3-hydroxypropylamine
| Conditions | Yield |
|---|---|
| In tetrahydrofuran; water at 65℃; for 24h; | 91% |
| In tetrahydrofuran; water at 60 - 65℃; for 4h; | 80% |
| In tetrahydrofuran; water at 65℃; for 3h; | 837 mg |
- 60960-88-5
N-methyl-3-phenylprop-2-en-1-amine
- 115290-81-8
(R)-N-methyl-3-phenyl-3-hydroxypropylamine
| Conditions | Yield |
|---|---|
| Stage #1: N-methyl-3-phenylprop-2-en-1-amine With L-diisopinocampheylborane In 1,2-dimethoxyethane at 30℃; for 2h; Stage #2: With dihydrogen peroxide; potassium hydroxide In 1,2-dimethoxyethane at 20℃; for 2h; | 90.67% |
- 406218-18-6
(R)-6-phenyl-1,3-oxazinan-2-one R-7a
- 115290-81-8
(R)-N-methyl-3-phenyl-3-hydroxypropylamine
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride In tetrahydrofuran Heating; | 90% |
- 115290-81-8
(R)-N-methyl-3-phenyl-3-hydroxypropylamine
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride In tetrahydrofuran for 6h; Reflux; | 86% |
| Conditions | Yield |
|---|---|
| Stage #1: Phenyl vinyl ketone; methylamine With sodium carbonate In water; isopropyl alcohol at 20℃; for 2h; Inert atmosphere; Stage #2: With chloro[(1S,2S)-N-(p-toluenesulfonyl)-1,2-diphenylethylenediamine]-(mesitylene) ruthenium (II); sodium formate In water; isopropyl alcohol at 40℃; for 10h; pH=7; Inert atmosphere; enantioselective reaction; | 79% |
- 100306-33-0
(1R)-3-chloro-1-phenylpropanol
- 74-89-5
methylamine
- 115290-81-8
(R)-N-methyl-3-phenyl-3-hydroxypropylamine
| Conditions | Yield |
|---|---|
| With potassium iodide In methanol; water at 80℃; for 8h; | 72% |
| With sodium iodide In water |
- 57256-92-5
3-methylamino-1-phenyl-propan-1-ol; hydrochloride
- 115290-81-8
(R)-N-methyl-3-phenyl-3-hydroxypropylamine
| Conditions | Yield |
|---|---|
| Stage #1: 3-methylamino-1-phenyl-propan-1-ol; hydrochloride With sodium hydrogencarbonate In chloroform; water Stage #2: With (S)-Mandelic acid In acetone | 46% |
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Specification
The (R)-(+)-N-methyl-3-phenyl-3-hydroxypropylamine is an organic compound with the formula C10H15NO. The systematic name of this chemical is (1S)-3-(methylamino)-1-phenylpropan-1-ol. With the CAS registry number 115290-81-8, it is also named as benzenemethanol, α-[2-(methylamino)ethyl]-, (alphaS)-.
Physical properties about (R)-(+)-N-methyl-3-phenyl-3-hydroxypropylamine are: (1)ACD/LogP: 0.34; (2)#H bond acceptors: 2; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 12.47 Å2; (6)Index of Refraction: 1.53; (7)Molar Refractivity: 50.2 cm3; (8)Molar Volume: 162.3 cm3; (9)Polarizability: 19.9×10-24cm3; (10)Surface Tension: 39.4 dyne/cm; (11)Density: 1.017 g/cm3; (12)Flash Point: 114.8 °C; (13)Enthalpy of Vaporization: 55.47 kJ/mol; (14)Boiling Point: 286.1 °C at 760 mmHg; (15)Vapour Pressure: 0.00126 mmHg at 25°C.
Uses of (R)-(+)-N-methyl-3-phenyl-3-hydroxypropylamine: it can be used to produce N-methyl-3,3-diphenylpropylamine. It will need reagent CF3SO3H. The yield is about 83%.
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You can still convert the following datas into molecular 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