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Cas Database |
| Name |
(S)-(-)-N,N-Dimethyl-3-hydroxy-3-(2-thienyl)propanamine |
EINECS | 603-565-7 |
| CAS No. | 132335-44-5 | Density | 1.111 g/cm3 |
| PSA | 51.71000 | LogP | 1.73320 |
| Solubility | N/A | Melting Point |
78-80 °C |
| Formula | C9H15NOS | Boiling Point | 290.119 °C at 760 mmHg |
| Molecular Weight | 185.29 | Flash Point | 129.259 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Thiophenemethanol,a-[2-(dimethylamino)ethyl]-, (S)-;(1S)-3-(Dimethylamino)-1-(2-thienyl)-1-propanol; |
Article Data | 47 |
(S)-(-)-N,N-Dimethyl-3-hydroxy-3-(2-thienyl)propanamine Synthetic route
- 287737-72-8
(S)-N,N-dimethyl-N-[3-hydroxy-3-(2-thienyl)propyl]-ammonium (S)-mandelate
- 132335-44-5
(S)-3-dimethylamino-1-(2-thienyl)propan-1-ol
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water for 0.5h; pH=11 - 12; | 95% |
| With ammonium hydroxide In tert-butyl methyl ether | 92.1% |
| With sodium hydroxide In tert-butyl methyl ether; water at 20℃; for 0.5h; pH=9; |
- 5424-47-5
3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride
- 132335-44-5
(S)-3-dimethylamino-1-(2-thienyl)propan-1-ol
| Conditions | Yield |
|---|---|
| With glucose dehydrogenase; D-glucose; Rhodosporidium toruloides carbonyl reductase 9 from Escherichia coli; NADPH; sodium hydroxide In aq. phosphate buffer at 30℃; for 4h; pH=7; Kinetics; Temperature; Enzymatic reaction; enantioselective reaction; | 92.1% |
| With hydrogen; sodium hydrogencarbonate; (2R,4R)-4-(dicyclohexylphosphino)-2-(diphenylphosphino-methyl)-N-methyl-aminocarbonyl-pyrrolidine; di-μ-chloro-bis(1,5-cyclooctadiene)dirhodium In methanol; water at 30℃; under 75007.5 Torr; for 20h; | |
| Multi-step reaction with 3 steps 1: sodium tetrahydroborate; sodium hydroxide / water / 7 h / 20 - 71 °C 2: toluene / 0.5 h / 80 °C 3: sodium hydroxide / water View Scheme |
- 13636-02-7, 132335-44-5, 132335-49-0
3-(N,N-dimethylamino)-1-(thien-2-yl)propan-1-ol
- 132335-44-5
(S)-3-dimethylamino-1-(2-thienyl)propan-1-ol
| Conditions | Yield |
|---|---|
| Stage #1: 3-(N,N-dimethylamino)-1-(thien-2-yl)propan-1-ol With tert-butyl methyl ether; (S)-Mandelic acid Stage #2: With sodium hydroxide | 92% |
| With (S)-Mandelic acid In methanol; toluene at 20 - 95℃; for 1.5h; pH=1 - 12; | 34% |
| Multi-step reaction with 2 steps 1: toluene / 0.5 h / 80 °C 2: sodium hydroxide / water View Scheme |
- 132335-44-5
(S)-3-dimethylamino-1-(2-thienyl)propan-1-ol
| Conditions | Yield |
|---|---|
| With methanol at 80℃; for 20h; Concentration; | 92% |
- 124-40-3
dimethyl amine
- 164071-56-1
(S)-3-chloro-1-(thiophen-2-yl)propan-1-ol
- 132335-44-5
(S)-3-dimethylamino-1-(2-thienyl)propan-1-ol
| Conditions | Yield |
|---|---|
| With potassium iodide In methanol; water at 80℃; for 8h; | 89% |
- 13196-35-5
3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one
- 132335-44-5
(S)-3-dimethylamino-1-(2-thienyl)propan-1-ol
| Conditions | Yield |
|---|---|
| With potassium tert-butylate; hydrogen; RuCl2[(R)-(DM-BINAP)][(R)-DAIPEN] In isopropyl alcohol; tert-butyl alcohol at 28℃; for 6h; | 80% |
| With hydrogen; (2R,2'R)-bis(diphenylphosphino)-(1R,1'R)-dicyclopentane; 1,1-dimethylethylenediamine; [RuCl2(dmf)n]; sodium t-butanolate In ethanol; dichloromethane at 20℃; under 5320 Torr; for 15h; | |
| With RuCl2(1,1'-bis(diphenyphosphino)ferrocene)[(1S,1'S)-6,6'-dibromo-1,1'-biisoindoline]; potassium tert-butylate; hydrogen In propan-1-ol at 20℃; under 38002.6 Torr; for 30h; Inert atmosphere; Autoclave; optical yield given as %ee; enantioselective reaction; |
- 132335-44-5
(S)-3-dimethylamino-1-(2-thienyl)propan-1-ol
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: phosphoric acid / water / 18 h / 40 - 45 °C 2: ethanol; tert-butyl methyl ether / 50 °C 3: ammonium hydroxide / tert-butyl methyl ether View Scheme |
- 132335-44-5
(S)-3-dimethylamino-1-(2-thienyl)propan-1-ol
| Conditions | Yield |
|---|---|
| In methanol at 20℃; for 2h; Alkaline conditions; | 26.4 g |
- 132335-44-5
(S)-3-dimethylamino-1-(2-thienyl)propan-1-ol
| Conditions | Yield |
|---|---|
| With water; sodium hydroxide | 30.2 g |
- 34772-98-0
3-dimethylamino-1-thiophen-2-ylpropenone
- 132335-44-5
(S)-3-dimethylamino-1-(2-thienyl)propan-1-ol
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: lithium aluminium tetrahydride / tetrahydrofuran / 8 h / Reflux 2: ethanol; tert-butyl methyl ether / 1 h / Reflux 3: sodium hydroxide / water / 0.5 h / pH 11 - 12 View Scheme |
(S)-(-)-N,N-Dimethyl-3-hydroxy-3-(2-thienyl)propanamine Chemical Properties
Molecule structure of (S)-(-)-N,N-Dimethyl-3-hydroxy-3-(2-thienyl)propanamine (CAS NO.132335-44-5):
Molecular Weight: 185.2865 g/mol
Molecular Formula: C9H15NOS
Density: 1.111 g/cm3
Melting Point: 78-80 °C
Boiling Point: 290.119 °C at 760 mmHg
Flash Point: 129.259 °C
Index of Refraction: 1.553
Molar Refractivity: 53.344 cm3
Molar Volume: 166.758 cm3
Polarizability: 21.147×10-24 cm3
Surface Tension: 43.177 dyne/cm
Enthalpy of Vaporization: 55.918 kJ/mol
Vapour Pressure: 0.001 mmHg at 25 °C
InChI: InChI=1/C9H15NOS/c1-10(2)6-5-8(11)9-4-3-7-12-9/h3-4,7-8,11H,5-6H2,1-2H3/t8-/m0/s1 Copy
InChIKey: XWCNSHMHUZCRLN-QMMMGPOBBC
Product Categories of (S)-(-)-N,N-Dimethyl-3-hydroxy-3-(2-thienyl)propanamine (CAS NO.132335-44-5): Chemical intermediate for Duloxetine Hydrochloride
(S)-(-)-N,N-Dimethyl-3-hydroxy-3-(2-thienyl)propanamine Specification
(S)-(-)-N,N-Dimethyl-3-hydroxy-3-(2-thienyl)propanamine (CAS NO.132335-44-5) is also named as (1S)-3-(Dimethylamino)-1-(2-thienyl)-1-propanol ; (1S)-3-(Dimethylamino)-1-(2-thienyl)propan-1-ol ; (1S)-3-(dimethylamino)-1-(thiophen-2-yl)propan-1-ol ; 2-thiophenemethanol, alpha-[2-(dimethylamino)ethyl]-, (alphaS)- .
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