3-Methyl-1-phenyl-2-thioxoimidazolidin-4-one

Base Information

• Chemical Name: 3-Methyl-1-phenyl-2-thioxoimidazolidin-4-one
• CAS No.: 80944-82-7
• Molecular Formula: C10H10N2OS
• Molecular Weight: 206.268
• DSSTox Substance ID: DTXSID30358364
• Wikidata: Q82138876

Synonyms:80944-82-7;3-methyl-1-phenyl-2-thioxoimidazolidin-4-one;4-Imidazolidinone, 3-methyl-1-phenyl-2-thioxo-;3-methyl-1-phenyl-2-sulfanylideneimidazolidin-4-one;SBB023513;SCHEMBL11066753;DTXSID30358364;MFCD03721167;STK350616;AKOS000313239;CS-0365934;SR-01000261278;SR-01000261278-1;3-METHYL-1-PHENYL-2-THIOXOTETRAHYDRO-4H-IMIDAZOL-4-ONE

Chemical Property of 3-Methyl-1-phenyl-2-thioxoimidazolidin-4-one

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 206.05138412
• Heavy Atom Count: 14
• Complexity: 261

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=O)CN(C1=S)C2=CC=CC=C2

Technology Process of 3-Methyl-1-phenyl-2-thioxoimidazolidin-4-one

There total 2 articles about 3-Methyl-1-phenyl-2-thioxoimidazolidin-4-one 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: 76.0%

chloroacetic acid ethyl ester (105-39-5) + methyl thioisocyanate (556-61-6) + aniline (62-53-3) → 3-methyl-1-phenyl-2-thioxo-imidazolidin-4-one (80944-82-7)

Guidance literature:

chloroacetic acid ethyl ester; aniline; With triethylamine; at 20 - 80 ℃; for 1h; neat (no solvent);

methyl thioisocyanate; at 80 ℃; neat (no solvent);

DOI:10.1007/s00706-007-0842-8

Reference yield:

N-Phenylglycine (103-01-5) + methyl thioisocyanate (556-61-6) → 3-methyl-1-phenyl-2-thioxo-imidazolidin-4-one (80944-82-7)

Guidance literature:

at 100 - 150 ℃;

DOI:10.1021/ja01226a037

Reference yield:

3-methyl-1-phenyl-2-thioxo-imidazolidin-4-one (80944-82-7) + benzaldehyde (100-52-7) → 5-benzylidene-1-phenyl-3-methyl-2-thiohydantoin

Guidance literature:

With sodium acetate; acetic acid; at 140 - 150 ℃;

DOI:10.1021/ja01226a037

upstream raw materials:

N-Phenylglycine

methyl thioisocyanate

chloroacetic acid ethyl ester

aniline

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