5-(1-(2-Phenyl-4-benzoxazolyl)ethylidene)-2-thioxo-4-thiazolidinone

Base Information

• Chemical Name: 5-(1-(2-Phenyl-4-benzoxazolyl)ethylidene)-2-thioxo-4-thiazolidinone
• CAS No.: 60723-70-8
• Molecular Formula: C18H12N2O2S2
• Molecular Weight: 352.4301
• Wikidata: Q76151129
• ChEMBL ID: CHEMBL3275256
• Mol file: 60723-70-8.mol

Synonyms:BRN 4792848;4-Thiazolidinone, 5-(1-(2-phenyl-4-benzoxazolyl)ethylidene)-2-thioxo-;5-(1-(2-Phenyl-4-benzoxazolyl)ethylidene)-2-thioxo-4-thiazolidinone;60723-70-8;CHEMBL3275256;C18H12N2O2S2;C18-H12-N2-O2-S2;LS-151833

Chemical Property of 5-(1-(2-Phenyl-4-benzoxazolyl)ethylidene)-2-thioxo-4-thiazolidinone

Chemical Property:

• Density: 1.47g/cm³
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 352.03401998
• Heavy Atom Count: 24
• Complexity: 571

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C1C(=O)NC(=S)S1)C2=C3C(=CC=C2)OC(=N3)C4=CC=CC=C4
• Isomeric SMILES: C/C(=C/1\C(=O)NC(=S)S1)/C2=C3C(=CC=C2)OC(=N3)C4=CC=CC=C4

Technology Process of 5-(1-(2-Phenyl-4-benzoxazolyl)ethylidene)-2-thioxo-4-thiazolidinone

There total 3 articles about 5-(1-(2-Phenyl-4-benzoxazolyl)ethylidene)-2-thioxo-4-thiazolidinone 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:

2-thioxo-thiazolidin-5-one (6913-23-1) + 1-(2-phenyl-benzooxazol-4-yl)-ethanone (60723-73-1) → 5-[1-(2-phenyl-benzooxazol-4-yl)-ethylidene]-2-thioxo-thiazolidin-4-one (60723-70-8)

Guidance literature:

With sodium acetate; at 120 - 140 ℃;

DOI:10.1021/jm00211a039

Reference yield:

1-(2-amino-3-hydroxy-phenyl)-ethanone; hydrochloride (2656-51-1) → 5-[1-(2-phenyl-benzooxazol-4-yl)-ethylidene]-2-thioxo-thiazolidin-4-one (60723-70-8)

Guidance literature:

Multi-step reaction with 2 steps

1: Py

2: NaOAc / 120 - 140 °C

With pyridine; sodium acetate;

DOI:10.1021/jm00211a039

Reference yield:

benzoyl chloride (98-88-4) → 5-[1-(2-phenyl-benzooxazol-4-yl)-ethylidene]-2-thioxo-thiazolidin-4-one (60723-70-8)

Guidance literature:

Multi-step reaction with 2 steps

1: Py

2: NaOAc / 120 - 140 °C

With pyridine; sodium acetate;

DOI:10.1021/jm00211a039

upstream raw materials:

2-thioxo-thiazolidin-5-one

1-(2-phenyl-benzooxazol-4-yl)-ethanone

1-(2-amino-3-hydroxy-phenyl)-ethanone; hydrochloride

benzoyl chloride

Downstream raw materials:

4-[2-(2-phenyl-benzooxazol-4-yl)-thiopropionyl]-morpholine

2-(2-phenyl-benzooxazol-4-yl)-propionic acid

3-(2-phenyl-benzooxazol-4-yl)-2-thioxo-butyric acid