5-((4-Methoxyphenyl)methylene)-2-thioxo-4-imidazolidinone

Base Information

• Chemical Name: 5-((4-Methoxyphenyl)methylene)-2-thioxo-4-imidazolidinone
• CAS No.: 7253-52-3
• Molecular Formula: C11H10N2O2S
• Molecular Weight: 234.279
• NSC Number: 684360,31154
• Nikkaji Number: J1.088.161G
• ChEMBL ID: CHEMBL1956800
• Mol file: 7253-52-3.mol

Synonyms:5-((4-Methoxyphenyl)methylene)-2-thioxo-4-imidazolidinone;NSC684360;(5Z)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one;7253-52-3;95474-45-6;MLS002639391;NSC31154;Hydantoin, 5-(p-methoxybenzylidene)-2-thio-;CHEMBL1956800;SCHEMBL15421317;SCHEMBL15421319;4-Imidazolidinone, 5-((4-methoxyphenyl)methylene)-2-thioxo-;BHT100780;NSC 31154;NSC-31154;AKOS001024009;NSC-684360;SR-01000389889;SR-01000389889-1;(Z)-5-(4-methoxybenzylidene)-2-thioxoimidazolidin-4-one;(5Z)-5-[(4-methoxyphenyl)methylene]-2-thioxo-imidazolidin-4-one;4-Imidazolidinone, 5-[(4-methoxyphenyl)methylene]-2-thioxo-, (5Z)-

Chemical Property of 5-((4-Methoxyphenyl)methylene)-2-thioxo-4-imidazolidinone

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.37g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 234.04629874
• Heavy Atom Count: 16
• Complexity: 333

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C=C2C(=O)NC(=S)N2
• Isomeric SMILES: COC1=CC=C(C=C1)/C=C\2/C(=O)NC(=S)N2

Technology Process of 5-((4-Methoxyphenyl)methylene)-2-thioxo-4-imidazolidinone

There total 2 articles about 5-((4-Methoxyphenyl)methylene)-2-thioxo-4-imidazolidinone 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: 89.0%

2-thiohydantoin (503-87-7) + 4-methoxy-benzaldehyde (123-11-5) → 5-[1-(4-Methoxy-phenyl)-meth-(Z)-ylidene]-2-thioxo-imidazolidin-4-one (7253-52-3,1809028-84-9)

Guidance literature:

With ethanolamine; In ethanol; water; at 70 - 90 ℃; for 4h;

Reference yield: 89.0%

2-thiohydantoin (503-87-7) + 4-methoxy-benzaldehyde (123-11-5) + malononitrile (109-77-3) → 5-amino-7-(4-methoxyphenyl)-1-oxo-3-thioxo-2,3-dihydro-1H-pyrrolo[1,2-c]imidazole-6-carbonitrile + 5-[1-(4-Methoxy-phenyl)-meth-(Z)-ylidene]-2-thioxo-imidazolidin-4-one (7253-52-3,1809028-84-9)

Guidance literature:

With piperidine; In water; at 20 ℃; for 3h; diastereoselective reaction;

DOI:10.1021/acscombsci.7b00038

Reference yield: 85.0%

5-[1-(4-Methoxy-phenyl)-meth-(Z)-ylidene]-2-thioxo-imidazolidin-4-one (7253-52-3,1809028-84-9) → 5-(4-methoxybenzylidene)imidazolidine-2,4-dione (5349-42-8)

Guidance literature:

With tin(II) chloride dihdyrate; In ethanol; for 12h; chemoselective reaction; Reflux;

DOI:10.1080/10426507.2010.525765

upstream raw materials:

2-thiohydantoin

4-methoxy-benzaldehyde

malononitrile

Downstream raw materials:

5-(4-methoxy-benzylidene)-2-methylsulfanyl-3,5-dihydro-imidazol-4-one

5-[1-(4-Methoxy-phenyl)-meth-(Z)-ylidene]-2-(2-oxo-propylsulfanyl)-3,5-dihydro-imidazol-4-one

2-{4-[1-(4-Methoxy-phenyl)-meth-(Z)-ylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-ylsulfanyl}-3-oxo-butyric acid ethyl ester

6-[1-(4-Methoxy-phenyl)-meth-(Z)-ylidene]-2,3-dihydro-6H-imidazo[2,1-b]thiazol-5-one