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Cas Database |
| Name |
S-(+)-N,N-Dimethyl-3-(1-naphthoxy)-3-(2-thienyl)-1-propylamine oxalate |
EINECS | 603-567-8 |
| CAS No. | 132335-47-8 | Density | 1.146 g/cm3 |
| PSA | 115.31000 | LogP | 4.12870 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C19H21NOS.C2H2O4 | Boiling Point | 459.7 °C at 760 mmHg |
| Molecular Weight | 401.483 | Flash Point | 231.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
(S)-(+)-N,N-dimethyl-3-(1-naphthyloxy)-3-(2-thienyl)-propanamine oxalate;S(+)-N,N-Dimenthyl-3-(1-Naphthalenyloxy)-3-(2-thienyl)-1-propanamine oxalate;S-(+)-N,N-Dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)-1-propanamine oxalate;(s)-(+)-n,n-dimethyl-3-naphthoxy-(2-thienyl)-propanamine Oxalate;S-(+)-N,N-dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)-propanamine oxalate; |
Article Data | 11 |
S-(+)-N,N-Dimethyl-3-(1-naphthoxy)-3-(2-thienyl)-1-propylamine oxalate Synthetic route
- 144-62-7
oxalic acid
- 132335-46-7
N-methyl-(S)-duloxetine
- 132335-47-8
(S)-N,N-dimethyl-3-(1-naphthyloxy)-3-(2-thienyl)propanamine oxalate
| Conditions | Yield |
|---|---|
| In Isopropyl acetate; water at 20℃; for 21h; Product distribution / selectivity; | 84.2% |
| In Isopropyl acetate; isopropyl alcohol at 20℃; for 2h; Product distribution / selectivity; | 78.6% |
| In methanol; Isopropyl acetate at 20℃; for 16h; Product distribution / selectivity; | 78.9% |
- 321-38-0
1-Fluoronaphthalene
- 144-62-7
oxalic acid
- 132335-49-0
α-[2-(dimethylamino)ethyl](thiophene-2-yl)methanol
- 132335-47-8
(S)-N,N-dimethyl-3-(1-naphthyloxy)-3-(2-thienyl)propanamine oxalate
| Conditions | Yield |
|---|---|
| Stage #1: oxalic acid; α-[2-(dimethylamino)ethyl](thiophene-2-yl)methanol With sodium hydride In N,N-dimethyl acetamide at 70℃; for 0.333333h; Stage #2: 1-Fluoronaphthalene In N,N-dimethyl acetamide at 110℃; for 1h; | 75.6% |
- 321-38-0
1-Fluoronaphthalene
- 144-62-7
oxalic acid
- 132335-44-5
(S)-3-dimethylamino-1-(2-thienyl)propan-1-ol
- 132335-47-8
(S)-N,N-dimethyl-3-(1-naphthyloxy)-3-(2-thienyl)propanamine oxalate
| Conditions | Yield |
|---|---|
| Stage #1: 1-Fluoronaphthalene; (S)-3-dimethylamino-1-(2-thienyl)propan-1-ol With tetrabutylammomium bromide; sodium hydroxide In dimethyl sulfoxide at 50 - 65℃; Stage #2: oxalic acid In toluene at 55 - 60℃; for 1h; optical yield given as %ee; enantioselective reaction; | 59.9% |
| Stage #1: 1-Fluoronaphthalene; (S)-3-dimethylamino-1-(2-thienyl)propan-1-ol With potassium tert-butylate at 90 - 100℃; Stage #2: oxalic acid In methanol at 0 - 30℃; |
- 321-38-0
1-Fluoronaphthalene
- 132335-44-5
(S)-3-dimethylamino-1-(2-thienyl)propan-1-ol
- 132335-47-8
(S)-N,N-dimethyl-3-(1-naphthyloxy)-3-(2-thienyl)propanamine oxalate
| Conditions | Yield |
|---|---|
| With sodium hydride 1) DMSO, 25 deg C, 25 min 2) 48-72 h, 45-50 deg C; Yield given. Multistep reaction; |
- 88-15-3
2-Acetylthiophene
- 132335-47-8
(S)-N,N-dimethyl-3-(1-naphthyloxy)-3-(2-thienyl)propanamine oxalate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 91 percent / 12N HCl / ethanol / 24 h / Heating 2: LiAlH4, (2R,3S)-(+)-4-dimethylamino-1,2-diphenyl-3-methyl-2-butanol / tetrahydrofuran; toluene / 16 h / -70 °C 3: 1) NaH / 1) DMSO, 25 deg C, 25 min 2) 48-72 h, 45-50 deg C View Scheme |
- 5424-47-5
3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride
- 132335-47-8
(S)-N,N-dimethyl-3-(1-naphthyloxy)-3-(2-thienyl)propanamine oxalate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: LiAlH4, (2R,3S)-(+)-4-dimethylamino-1,2-diphenyl-3-methyl-2-butanol / tetrahydrofuran; toluene / 16 h / -70 °C 2: 1) NaH / 1) DMSO, 25 deg C, 25 min 2) 48-72 h, 45-50 deg C View Scheme | |
| Multi-step reaction with 2 steps 1.1: sodium hydroxide; sodium tetrahydroborate / water; methanol / 2 h / 35 - 40 °C 2.1: sodium hydride / dimethyl sulfoxide / 20 °C 2.2: 48 - 50 °C 2.3: 5 h / 20 °C View Scheme |
- 144-62-7
oxalic acid
- 116817-11-9
N,N-dimethylamino-3-(1-naphthanyloxy)-3-(2-thienyl)-1-propanamine
A
- 932013-45-1
(R)-N,N-dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine oxalate
B
- 132335-47-8
(S)-N,N-dimethyl-3-(1-naphthyloxy)-3-(2-thienyl)propanamine oxalate
| Conditions | Yield |
|---|---|
| In ethyl acetate at 20℃; for 1h; |
- 144-62-7
oxalic acid
- 878757-08-5
(R)-(-)-N,N-dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propylamine
- 132335-46-7
N-methyl-(S)-duloxetine
A
- 932013-45-1
(R)-N,N-dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine oxalate
B
- 132335-47-8
(S)-N,N-dimethyl-3-(1-naphthyloxy)-3-(2-thienyl)propanamine oxalate
| Conditions | Yield |
|---|---|
| In ethyl acetate at 20℃; for 1h; |
- 321-38-0
1-Fluoronaphthalene
- 132335-47-8
(S)-N,N-dimethyl-3-(1-naphthyloxy)-3-(2-thienyl)propanamine oxalate
| Conditions | Yield |
|---|---|
| With oxalic acid In ISOPROPYLAMIDE; water; (S)-3-dimethylamino-1-(2-thienyl)propan-1-ol; ethyl acetate; mineral oil | 3.5 g (80 %) |
- 13636-02-7, 132335-44-5, 132335-49-0
3-(N,N-dimethylamino)-1-(thien-2-yl)propan-1-ol
- 321-38-0
1-Fluoronaphthalene
- 144-62-7
oxalic acid
- 132335-47-8
(S)-N,N-dimethyl-3-(1-naphthyloxy)-3-(2-thienyl)propanamine oxalate
| Conditions | Yield |
|---|---|
| Stage #1: 3-(N,N-dimethylamino)-1-(thien-2-yl)propan-1-ol With sodium hydride In dimethyl sulfoxide at 20℃; Stage #2: 1-Fluoronaphthalene In dimethyl sulfoxide at 48 - 50℃; Stage #3: oxalic acid In ethyl acetate at 20℃; for 5h; |
S-(+)-N,N-Dimethyl-3-(1-naphthoxy)-3-(2-thienyl)-1-propylamine oxalate Chemical Properties
Molecule structure of S-(+)-N,N-Dimethyl-3-(1-naphthoxy)-3-(2-thienyl)-1-propylamine oxalate (CAS NO.132335-47-8):
Molecular Weight: 401.48 g/mol
Molecular Formula: C19H21NOS.C2H2O4
Density: 1.146 g/cm3
Boiling Point: 459.744 °C at 760 mmHg
Flash Point: 231.845 °C
Index of Refraction: 1.624
Molar Refractivity: 95.901 cm3
Molar Volume: 271.761 cm3
Surface Tension: 45.695 dyne/cm
Enthalpy of Vaporization: 72.029 kJ/mol
InChI: InChI=1/C19H21NOS/c1-20(2)13-12-18(19-11-6-14-22-19)21-17-10-5-8-15-7-3-4-9-16(15)17/h3-1,14,18H,12-13H2,1-2H3/t18-/m0/s1
InChIKey of S-(+)-N,N-Dimethyl-3-(1-naphthoxy)-3-(2-thienyl)-1-propylamine oxalate (CAS NO.132335-47-8): JFTURWWGPMTABQ-SFHVURJKBY
S-(+)-N,N-Dimethyl-3-(1-naphthoxy)-3-(2-thienyl)-1-propylamine oxalate Specification
S-(+)-N,N-Dimethyl-3-(1-naphthoxy)-3-(2-thienyl)-1-propylamine oxalate (CAS NO.132335-47-8) is also named as S-(+)-n,n-dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)-1-propanamine oxalate ; (S)-N,N-Dimethyl-g-(1-naphthalenyloxy)-2-thiophenepropanamine ethanedioate (1:1) ; S-(+)-N,N-Dimethyl-3-(1-naphthoxy)-3-(2-thienyl)-1-propylamine oxalate ; (S)-(+)-N,N-Dimethyl-3-(1-Naphthalenyloxy)-3-(2-Thinyl)Propanamine Oxalate ; (S)-(+)-N,N-dimethyl-3-(1-naphthyloxy)-3-(2-thienyl)-propanamine oxalate.
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