N-((1-Ethyl-2-pyrrolidinyl)methyl)-2-methoxy-4-amino-5-methylsulphonylbenzamide

Base Information

Chemical Name:N-((1-Ethyl-2-pyrrolidinyl)methyl)-2-methoxy-4-amino-5-methylsulphonylbenzamide
CAS No.:71676-00-1
Molecular Formula:C16H25N3O4S
Molecular Weight:355.458
Hs Code.:
European Community (EC) Number:642-271-3
DSSTox Substance ID:DTXSID90992283
Nikkaji Number:J3.600.800H
Mol file:71676-00-1.mol

Synonyms:71676-00-1;Amisulpride Impurity D;N-((1-Ethyl-2-pyrrolidinyl)methyl)-2-methoxy-4-amino-5-methylsulphonylbenzamide;4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-methylsulfonylbenzamide;Benzamide, 4-amino-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxy-5-(methylsulfonyl)-;DTXSID90992283;SZQIUFIQZCNHHN-UHFFFAOYSA-N;LS-25539;J3.600.800H;4-Amino-N-[[(2RS)-1-ethyl-pyrrolidin-2-yl]methyl]-2-methoxy-5-(methylsulphonyl)benzamide;N-(1-Ethylpyrrolidine-2-ylmethyl)-4-amino-5-(methylsulfonyl)-2-methoxybenzamide;4-Amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(methanesulfonyl)-2-methoxybenzene-1-carboximidic acid

Suppliers and Price of N-((1-Ethyl-2-pyrrolidinyl)methyl)-2-methoxy-4-amino-5-methylsulphonylbenzamide

Supply Marketing:

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
S-DesethylS-MethylAmisulpride
25mg
$ 860.00

Total 6 raw suppliers

Chemical Property of N-((1-Ethyl-2-pyrrolidinyl)methyl)-2-methoxy-4-amino-5-methylsulphonylbenzamide

Chemical Property:

Vapor Pressure:3.64E-12mmHg at 25°C
Melting Point:145-148oC
Boiling Point:550.5°Cat760mmHg
PKA:13.73±0.46(Predicted)
Flash Point:286.7°C
PSA：113.60000
Density:1.22g/cm³
LogP:3.06970
Storage Temp.:-20°C Freezer
Solubility.:Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:355.15657746
Heavy Atom Count:24
Complexity:534

Purity/Quality:

> 95% ^*data from raw suppliers

S-DesethylS-MethylAmisulpride ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)C
Uses S-Desethyl S-Methyl Amisulpride is a metabolite of Amisulpride (A633250); a neuroleptic agent and an analog of Sulpiride (S689145). Amisulpride is used as an antipsychotic and is a dopamine receptor antagonist. Amisulpride EP Impurity D

Technology Process of N-((1-Ethyl-2-pyrrolidinyl)methyl)-2-methoxy-4-amino-5-methylsulphonylbenzamide

There total 5 articles about N-((1-Ethyl-2-pyrrolidinyl)methyl)-2-methoxy-4-amino-5-methylsulphonylbenzamide 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: 80.0%

: 26116-12-1
1-ethyl-2-pyrrolidinemethanamine

: 71675-99-5
2-methoxy 4-amino 5-methylsulphonyl benzoic acid

: 71676-00-1
N-(1-ethyl 2-pyrrolidylmethyl) 2-methoxy 4-amino 5-methylsulphonyl benzamide

Guidance literature:: 2-methoxy 4-amino 5-methylsulphonyl benzoic acid; With triethylamine; In acetone;

1-ethyl-2-pyrrolidinemethanamine; With chloroformic acid ethyl ester; In acetone; at 15 - 30 ℃;

Reference yield: 52.0%

: 26116-12-1
1-ethyl-2-pyrrolidinemethanamine

: 541-41-3
chloroformic acid ethyl ester

: 71676-00-1
N-(1-ethyl 2-pyrrolidylmethyl) 2-methoxy 4-amino 5-methylsulphonyl benzamide

Guidance literature:: In triethylamine; acetone;

Reference yield:

: 4093-34-9
2-Methoxy-4-cetamino-5-brom-benzoesaeuremethylester

: 71676-00-1
N-(1-ethyl 2-pyrrolidylmethyl) 2-methoxy 4-amino 5-methylsulphonyl benzamide

Guidance literature:: Multi-step reaction with 4 steps

1.1: copper(l) iodide; sodium methansulfinate / dimethyl sulfoxide / 90 - 95 °C / Inert atmosphere

2.1: sulfuric acid / methanol / 60 - 65 °C

3.1: sodium hydroxide; water / 60 - 65 °C

4.1: triethylamine / acetone

4.2: 15 - 30 °C

With copper(l) iodide; sulfuric acid; sodium methansulfinate; water; triethylamine; sodium hydroxide; In methanol; dimethyl sulfoxide; acetone;