4-Imidazolidinone, 3-ethyl-5-((3-ethyl-2(3H)-benzoxazolylidene)ethylidene)-1-phenyl-2-thioxo-

Base Information

• Chemical Name: 4-Imidazolidinone, 3-ethyl-5-((3-ethyl-2(3H)-benzoxazolylidene)ethylidene)-1-phenyl-2-thioxo-
• CAS No.: 13033-91-5
• Molecular Formula: C22H21 N3 O2 S
• Molecular Weight: 391.494
• European Community (EC) Number: 235-896-4
• Mol file: 13033-91-5.mol

Synonyms:EINECS 235-896-4;4-Imidazolidinone, 3-ethyl-5-(2-(3-ethyl-2(3H)-benzoxazolylidene)ethylidene)-1-phenyl-2-thioxo-;13033-91-5;C22H21N3O2S;4-Imidazolidinone, 3-ethyl-5-((3-ethyl-2(3H)-benzoxazolylidene)ethylidene)-1-phenyl-2-thioxo-;4-Imidazolidinone, 3-ethyl-5-[2-(3-ethyl-2(3H)-benzoxazolylidene)ethylidene]-1-phenyl-2-thioxo-;JAFSZVFUWRLSPS-WNPPYXCZSA-N;3-Ethyl-5-((3-ethylbenzoxazol-2(3H)-ylidene)ethylidene)-1-phenyl-2-thioxoimidazolidin-4-one;3-ethyl-5-[(3-ethylbenzoxazol-2(3H)-ylidene)ethylidene]-1-phenyl-2-thioxoimidazolidin-4-one;4-Imidazolidinone, 3-ethyl-5-[(3-ethyl-2(3H)-benzoxazolylidene)ethylidene]-1-phenyl-2-thioxo-

Chemical Property of 4-Imidazolidinone, 3-ethyl-5-((3-ethyl-2(3H)-benzoxazolylidene)ethylidene)-1-phenyl-2-thioxo-

Chemical Property:

• Vapor Pressure: 1.58E-08mmHg at 25°C
• Melting Point: 266-268 °C (decomp)
• Boiling Point: 456.7°Cat760mmHg
• PKA: -0.85±0.20(Predicted)
• Flash Point: 230°C
• PSA: 73.71000
• Density: 1.35g/cm³
• LogP: 3.85620
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 391.13544809
• Heavy Atom Count: 28
• Complexity: 683

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=CC=CC=C2OC1=CC=C3C(=O)N(C(=S)N3C4=CC=CC=C4)CC
• Isomeric SMILES: CCN\1C2=CC=CC=C2O/C1=C\C=C/3\C(=O)N(C(=S)N3C4=CC=CC=C4)CC

Technology Process of 4-Imidazolidinone, 3-ethyl-5-((3-ethyl-2(3H)-benzoxazolylidene)ethylidene)-1-phenyl-2-thioxo-

There total 1 articles about 4-Imidazolidinone, 3-ethyl-5-((3-ethyl-2(3H)-benzoxazolylidene)ethylidene)-1-phenyl-2-thioxo- 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:

→ 3-ethyl-5-[(3-ethyl-3H-benzoxazol-2-yliden)-ethylidene]-1-phenyl-2-thioxo-imidazolidin-4-one (13033-91-5)

Guidance literature:

/BRN= 307391/;

DOI:10.1039/jr9540002221

Reference yield:

3-ethyl-5-[(3-ethyl-3H-benzoxazol-2-yliden)-ethylidene]-1-phenyl-2-thioxo-imidazolidin-4-one (13033-91-5) → 1-ethyl-4-[(3-ethyl-3H-benzoxazol-2-yliden)-ethylidene]-2-methylsulfanyl-5-oxo-3-phenyl-4,5-dihydro-imidazolium; iodide

Guidance literature:

With methyl p-toluene sulfonate; anschliessendes Ueberfuehren in das Jodid;

Reference yield:

3-ethyl-5-[(3-ethyl-3H-benzoxazol-2-yliden)-ethylidene]-1-phenyl-2-thioxo-imidazolidin-4-one (13033-91-5) → 3-ethyl-5-[(3-ethyl-3H-benzoxazol-2-yliden)-ethylidene]-1-phenyl-2-selenoxo-imidazolidin-4-one

Guidance literature:

Multi-step reaction with 2 steps

1: toluene-4-sulfonic acid methyl ester / anschliessendes Ueberfuehren in das Jodid

2: ethanol; Na₂Se

With sodium selenide; ethanol; methyl p-toluene sulfonate;

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