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CAS No.: | 132335-44-5 |
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Name: | (S)-(-)-N,N-Dimethyl-3-hydroxy-3-(2-thienyl)propanamine |
Article Data: | 47 |
Molecular Structure: | |
Formula: | C9H15NOS |
Molecular Weight: | 185.29 |
Synonyms: | 2-Thiophenemethanol,a-[2-(dimethylamino)ethyl]-, (S)-;(1S)-3-(Dimethylamino)-1-(2-thienyl)-1-propanol; |
EINECS: | 603-565-7 |
Density: | 1.111 g/cm3 |
Melting Point: | 78-80 °C |
Boiling Point: | 290.119 °C at 760 mmHg |
Flash Point: | 129.259 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 51.71000 |
LogP: | 1.73320 |
(S)-N,N-dimethyl-N-[3-hydroxy-3-(2-thienyl)propyl]-ammonium (S)-mandelate
(S)-3-dimethylamino-1-(2-thienyl)propan-1-ol
Conditions | Yield |
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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; |
3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride
(S)-3-dimethylamino-1-(2-thienyl)propan-1-ol
Conditions | Yield |
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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 |
3-(N,N-dimethylamino)-1-(thien-2-yl)propan-1-ol
(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 |
(S)-3-dimethylamino-1-(2-thienyl)propan-1-ol
Conditions | Yield |
---|---|
With methanol at 80℃; for 20h; Concentration; | 92% |
dimethyl amine
(S)-3-chloro-1-(thiophen-2-yl)propan-1-ol
(S)-3-dimethylamino-1-(2-thienyl)propan-1-ol
Conditions | Yield |
---|---|
With potassium iodide In methanol; water at 80℃; for 8h; | 89% |
3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one
(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; |
(S)-3-dimethylamino-1-(2-thienyl)propan-1-ol
Conditions | Yield |
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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 |
(S)-3-dimethylamino-1-(2-thienyl)propan-1-ol
Conditions | Yield |
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In methanol at 20℃; for 2h; Alkaline conditions; | 26.4 g |
(S)-3-dimethylamino-1-(2-thienyl)propan-1-ol
Conditions | Yield |
---|---|
With water; sodium hydroxide | 30.2 g |
3-dimethylamino-1-thiophen-2-ylpropenone
(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 |
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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 (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)- .