(S)-N,N-Dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine oxalate

Base Information Edit

Chemical Name:(S)-N,N-Dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine oxalate
CAS No.:132335-47-8
Molecular Formula:C19H21NOS^.C2H2O4
Molecular Weight:401.483
Hs Code.:2934999090
European Community (EC) Number:603-567-8
DSSTox Substance ID:DTXSID20474380
Mol file:132335-47-8.mol

Synonyms:132335-47-8;(S)-N,N-Dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine oxalate;N-Methyl Duloxetine Oxalate;S-(+)-N,N-Dimethyl-3-(1-naphthoxy)-3-(2-thienyl)-1-propylamine oxalate;(3S)-N,N-dimethyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;oxalic acid;S-(+)-N,N-Dimethyl-3-(1-naphthoxy)-3-(2-thienyl)-propylamine Oxalate;(3S)-N,N-Dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine Oxalate (N-Methylduloxetine Oxalate);2-Thiophenepropanamine, N,N-dimethyl-gamma-(1-naphthalenyloxy)-, ethanedioate (1:1), (gammaS)-;C21H23NO5S;GYUDMXKAVMKVPS-FERBBOLQSA-N;SCHEMBL1535363;DTXSID20474380;MFCD08458302;AKOS015895978;(3S)-N,N-dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine ethanedioate;(S)-N,N-Dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amineoxalate;AC-31110;DS-17898;CS-0151301;EN300-7372592;J-006164;(S)-N,N-dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine oxalate;(S)-N,N-dimethyl-3-(1-naphthyloxy)-3-(2-thienyl)propanamine oxalate;DIMETHYL[(3S)-3-(NAPHTHALEN-1-YLOXY)-3-(THIOPHEN-2-YL)PROPYL]AMINE;OXALIC ACID;Oxalic acid--(3S)-N,N-dimethyl-3-[(naphthalen-1-yl)oxy]-3-(thiophen-2-yl)propan-1-amine (1/1)

Suppliers and Price of (S)-N,N-Dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine oxalate

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
N-MethylDuloxetineOxalate
10g
$ 150.00

TRC
N-MethylDuloxetineOxalate
25g
$ 300.00

Medical Isotopes, Inc.
N-MethylDuloxetineOxalate
1 g
$ 640.00

Matrix Scientific
(S)-N,N-Dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine oxalate 95+%
10g
$ 756.00

Matrix Scientific
(S)-N,N-Dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine oxalate 95+%
1g
$ 189.00

Matrix Scientific
(S)-N,N-Dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine oxalate 95+%
5g
$ 504.00

Crysdot
(S)-N,N-Dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amineoxalate 95+%
25g
$ 218.00

Crysdot
(S)-N,N-Dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amineoxalate 95+%
100g
$ 653.00

Chemenu
(S)-N,N-Dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amineoxalate 95%
100g
$ 617.00

Chemenu
(S)-N,N-Dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amineoxalate 95%
10g
$ 112.00

Total 136 raw suppliers

Chemical Property of (S)-N,N-Dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine oxalate Edit

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Refractive Index:1.624
Boiling Point:459.7 °C at 760 mmHg
Flash Point:231.8 °C
PSA：115.31000
Density:1.146 g/cm3
LogP:4.12870
Storage Temp.:under inert gas (nitrogen or Argon) at 2–8 °C
Solubility.:DMSO (Slightly), Methanol (Slightly)
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:401.12969401
Heavy Atom Count:28
Complexity:407

Purity/Quality:

99% ^*data from raw suppliers

N-MethylDuloxetineOxalate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(C)CCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32.C(=O)(C(=O)O)O
Isomeric SMILES:CN(C)CC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32.C(=O)(C(=O)O)O

Technology Process of (S)-N,N-Dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine oxalate

There total 11 articles about (S)-N,N-Dimethyl-3-(naphthalen-1-yloxy)-3-(thiophen-2-yl)propan-1-amine oxalate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 84.2%

: 144-62-7,97993-78-7
oxalic acid

: 132335-46-7
N-methyl-(S)-duloxetine

: 132335-47-8,116817-12-0
(S)-N,N-dimethyl-3-(1-naphthyloxy)-3-(2-thienyl)propanamine oxalate

Guidance literature:: In Isopropyl acetate; water; at 20 ℃; for 21h; Product distribution / selectivity;

Reference yield: 75.6%

: 321-38-0
1-Fluoronaphthalene

: 144-62-7,97993-78-7
oxalic acid

: 132335-49-0
α-[2-(dimethylamino)ethyl](thiophene-2-yl)methanol

: 132335-47-8,116817-12-0
(S)-N,N-dimethyl-3-(1-naphthyloxy)-3-(2-thienyl)propanamine oxalate

Guidance literature:: oxalic acid; α-[2-(dimethylamino)ethyl](thiophene-2-yl)methanol; With sodium hydride; In N,N-dimethyl acetamide; at 70 ℃; for 0.333333h;

1-Fluoronaphthalene; In N,N-dimethyl acetamide; at 110 ℃; for 1h;

Reference yield: 59.9%

: 321-38-0
1-Fluoronaphthalene

: 144-62-7,97993-78-7
oxalic acid

: 132335-44-5
(S)-3-dimethylamino-1-(2-thienyl)propan-1-ol

: 132335-47-8,116817-12-0
(S)-N,N-dimethyl-3-(1-naphthyloxy)-3-(2-thienyl)propanamine oxalate

Guidance literature:: 1-Fluoronaphthalene; (S)-3-dimethylamino-1-(2-thienyl)propan-1-ol; With tetrabutylammomium bromide; sodium hydroxide; In dimethyl sulfoxide; at 50 - 65 ℃;

oxalic acid; In toluene; at 55 - 60 ℃; for 1h; optical yield given as %ee; enantioselective reaction;
DOI:10.1021/op800289h