Ethyl {4-oxo-5-[(pyridin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}acetate

Base Information

• Chemical Name: Ethyl {4-oxo-5-[(pyridin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}acetate
• CAS No.: 6141-96-4
• Molecular Formula: C13H12N2O3S2
• Molecular Weight: 261.121
• DSSTox Substance ID: DTXSID90362780
• Mol file: 6141-96-4.mol

Synonyms:6141-96-4;DTXSID90362780;Ethyl {4-oxo-5-[(pyridin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}acetate

Chemical Property of Ethyl {4-oxo-5-[(pyridin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}acetate

Chemical Property:

• Vapor Pressure: 1.8E-08mmHg at 25°C
• Boiling Point: 455.2°Cat760mmHg
• Flash Point: 229.1°C
• PSA: 116.89000
• Density: 1.43g/cm³
• LogP: 1.78380
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 308.02893460
• Heavy Atom Count: 20
• Complexity: 451

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CN1C(=O)C(=CC2=CN=CC=C2)SC1=S

Technology Process of Ethyl {4-oxo-5-[(pyridin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}acetate

There total 23 articles about Ethyl {4-oxo-5-[(pyridin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}acetate 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: 100.0%

1-(4-bromophenyl)-1,2-diphenylhydrazine (7466-30-0) → (E)-1-(4-bromophenyl)-2-phenyldiazene (6141-96-4)

Guidance literature:

With potassium tert-butylate; ammonia; at -75 - 20 ℃; for 0.05h; Sealed tube;

DOI:10.1002/anie.201610371

Reference yield: 90.0%

triphenylindium (3958-47-2) + 4-Bromobenzenediazonium o-benzenedisulfonimide → biphenyl (92-52-4,1594-86-1) + (E)-1-(4-bromophenyl)-2-phenyldiazene (6141-96-4)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 0.166667h;

DOI:10.1002/ejoc.200600527

Reference yield: 86.0%

triphenylindium (3958-47-2) + 4-Bromobenzenediazonium o-benzenedisulfonimide → biphenyl (92-52-4,1594-86-1) + 4-bromo-1,1'-biphenyl (92-66-0) + (E)-1-(4-bromophenyl)-2-phenyldiazene (6141-96-4)

Guidance literature:

bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; at 20 ℃; for 0.166667h;

DOI:10.1002/ejoc.200600527

upstream raw materials:

ethanol

cis-(4-bromo-phenyl)-phenyl-diazene

N-[(4-bromophenyl)imino]benzenimine oxide

phenylmagnesium bromide

Downstream raw materials:

(Z)-N-(4-bromo-phenyl)-N'-phenyl-diazene-N-oxide

(Z)-2-(4-bromophenyl)-1-phenyldiazene 1-oxide

1-(4-bromophenyl)-1,2-diphenylhydrazine