2-(dimethylamino)ethyl 3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate;hydrochloride

Base Information

• Chemical Name: 2-(dimethylamino)ethyl 3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate;hydrochloride
• CAS No.: 5619-85-2
• Molecular Formula: C17H19 N O10
• Molecular Weight: 435.3883
• DSSTox Substance ID: DTXSID20416982
• Mol file: 5619-85-2.mol

Synonyms:5619-85-2;2-(dimethylamino)ethyl 3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate;hydrochloride;AC1NSXKJ;BIM-0026354.P001;DTXSID20416982

Chemical Property of 2-(dimethylamino)ethyl 3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate;hydrochloride

Chemical Property:

• Vapor Pressure: 3.36E-11mmHg at 25°C
• Boiling Point: 527.1°Cat760mmHg
• Flash Point: 272.6°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 434.0292402
• Heavy Atom Count: 26
• Complexity: 554

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCOC(=O)CCN1C(=O)C(=CC2=CC=CC=C2Cl)SC1=S.Cl
• Isomeric SMILES: CN(C)CCOC(=O)CCN1C(=O)/C(=C/C2=CC=CC=C2Cl)/SC1=S.Cl

Technology Process of 2-(dimethylamino)ethyl 3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate;hydrochloride

There total 1 articles about 2-(dimethylamino)ethyl 3-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate;hydrochloride 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:

4-nitrobenzaldehdye (555-16-8) + malonic acid dimethyl ester (108-59-8) → 1,1,3,3-tetramethoxycarbonyl-2-(4-nitrophenyl)propane (5619-85-2)

Guidance literature:

With sodium methylate; In methanol;

DOI:10.1055/s-2002-34839

Reference yield: 76.0%

1,1,3,3-tetramethoxycarbonyl-2-(4-nitrophenyl)propane (5619-85-2) → 3-(4-nitrophenyl)-1,1,2,2-tetramethoxycarbonylcyclopropane

Guidance literature:

With sodium acetate; potassium iodide; In methanol; at 15 ℃; Electrochemical reaction;

DOI:10.1055/s-2002-34839

upstream raw materials:

4-nitrobenzaldehdye

malonic acid dimethyl ester