5-((4-Chlorophenyl)methylene)-3-phenyl-2-thioxo-4-imidazolidinone

Base Information

• Chemical Name: 5-((4-Chlorophenyl)methylene)-3-phenyl-2-thioxo-4-imidazolidinone
• CAS No.: 15985-17-8
• Molecular Formula: C16H11 Cl N2 O S
• Molecular Weight: 314.7893
• Nikkaji Number: J1.903.764I
• Wikidata: Q76306327
• Mol file: 15985-17-8.mol

Synonyms:15985-17-8;5-((4-Chlorophenyl)methylene)-3-phenyl-2-thioxo-4-imidazolidinone;(5Z)-5-[(4-chlorophenyl)methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one;BRN 1586437;5-(p-Chlorobenzylidene)-3-phenyl-2-thiohydantoin;Hydantoin, 5-(p-chlorobenzylidene)-3-phenyl-2-thio-;4-IMIDAZOLIDINONE, 5-((4-CHLOROPHENYL)METHYLENE)-3-PHENYL-2-THIOXO-;5-(4-Chloro-benzylidene)-3-phenyl-2-thioxo-imidazolidin-4-one;STK877625;AKOS001606502;LS-79425;12M-009;SR-01000422193;SR-01000422193-1;2-Thioxo-3-phenyl-5-(4-chlorobenzylidene)imidazolidine-4-one;(5Z)-5-(4-chlorobenzylidene)-3-phenyl-2-thioxoimidazolidin-4-one

Chemical Property of 5-((4-Chlorophenyl)methylene)-3-phenyl-2-thioxo-4-imidazolidinone

Chemical Property:

• Vapor Pressure: 2.12E-08mmHg at 25°C
• Boiling Point: 453.2°Cat760mmHg
• Flash Point: 227.9°C
• PSA: 71.47000
• Density: 1.44g/cm³
• LogP: 3.51410
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 314.0280618
• Heavy Atom Count: 21
• Complexity: 451

Purity/Quality:

98%min ^*data from raw suppliers

(5E)-5-(4-Chlorobenzylidene)-2-mercapto-3-phenyl-3,5-dihydro-4H-imidazol-4-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)Cl)NC2=S
• Isomeric SMILES: C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(C=C3)Cl)/NC2=S

Technology Process of 5-((4-Chlorophenyl)methylene)-3-phenyl-2-thioxo-4-imidazolidinone

There total 1 articles about 5-((4-Chlorophenyl)methylene)-3-phenyl-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:

→ 5-(4-chloro-benzylidene)-3-phenyl-2-thioxo-imidazolidin-4-one (15985-17-8)

Guidance literature:

3-Phenyl-2-thio-hydantoin, 1. 4-Chlor-benzaldehyd, Acetanhydrid, Na-Acetat, 2. HCl; Ausb.: 79percent;

Reference yield: 92.1%

5-(4-chloro-benzylidene)-3-phenyl-2-thioxo-imidazolidin-4-one (15985-17-8) → 5-(4-chlorobenzylidene)-3-phenylhydantoin (76112-89-5)

Guidance literature:

With water; chloroacetic acid; Heating;

Reference yield: 89.7%

5-(4-chloro-benzylidene)-3-phenyl-2-thioxo-imidazolidin-4-one (15985-17-8) + methyl iodide (74-88-4) → C17H13ClN2OS (76113-01-4)

Guidance literature:

With potassium hydroxide; In ethanol;

Downstream raw materials:

5-(4-chlorobenzylidene)-3-phenylhydantoin

C₁₇H₁₃ClN₂OS

C₁₆H₁₁ClN₂OSe

C₁₇H₁₃ClN₂OSe

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