3-anilino-N-phenyl-3-sulfanylidenepropanamide

Base Information

• Chemical Name: 3-anilino-N-phenyl-3-sulfanylidenepropanamide
• CAS No.: 13664-05-6
• Molecular Formula: C15H14N2OS
• Molecular Weight: 270.355
• European Community (EC) Number: 859-818-9
• Nikkaji Number: J2.318.183E
• Mol file: 13664-05-6.mol

Synonyms:3-anilino-N-phenyl-3-sulfanylidenepropanamide;13664-05-6;n-Phenyl-2-(phenylcarbamothioyl)acetamide;SCHEMBL3071119;AKOS015959304;CS-0260612;N-Phenyl-3-(phenylamino)-3-thioxopropanamide;N-Phenyl-3-thioxo-3-(phenylamino)propanamide;EN300-7548999

Chemical Property of 3-anilino-N-phenyl-3-sulfanylidenepropanamide

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 270.08268425
• Heavy Atom Count: 19
• Complexity: 307

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=O)CC(=S)NC2=CC=CC=C2

Technology Process of 3-anilino-N-phenyl-3-sulfanylidenepropanamide

There total 8 articles about 3-anilino-N-phenyl-3-sulfanylidenepropanamide 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: 94.0%

phenyl isothiocyanate (103-72-0) + N-phenylacetoacetamide (102-01-2,98624-45-4) → N-phenyl-3-(phenylamino)-3-thioxopropanamide (13664-05-6)

Guidance literature:

N-phenylacetoacetamide; With potassium carbonate; In ethanol; at 20 ℃; for 0.5h;

phenyl isothiocyanate; In ethanol; for 1.5h; Reflux;

DOI:10.1055/s-0028-1088078

Reference yield: 79.0%

2,2-dimethyl-5-[(phenylamino)(sulfanyl)methylidene]-1,3-dioxane-4,6-dione (125674-06-8) + aniline (62-53-3) → N-phenyl-3-(phenylamino)-3-thioxopropanamide (13664-05-6)

Guidance literature:

In ethylbenzene; for 0.6h; Reflux;

DOI:10.1002/hlca.201100347

Reference yield: 71.0%

maleic anhydride (108-31-6) + aniline (62-53-3) → N-phenyl-3-(phenylamino)-3-thioxopropanamide (13664-05-6)

Guidance literature:

With N-methylcyclohexylamine; sulfur; dimethyl sulfoxide; at 50 ℃; for 16h; Inert atmosphere;

DOI:10.1002/adsc.201900160

upstream raw materials:

α-Acetyl-monothiomalonsaeure-dianilid

4,5,9,10-Tetraoxo-2,7-dithiatricyclo<6.2.0.0^3.6>deca-1(8),3(6)-diene

aniline

phenyl isothiocyanate

Downstream raw materials:

C₁₅H₁₀N₂O₂S

2-(benzo[d]thiazol-2-yl)-N-phenylacetamide