3-amino-N-(4-methylphenyl)-3-thioxopropanamide

Base Information

• Chemical Name: 3-amino-N-(4-methylphenyl)-3-thioxopropanamide
• CAS No.: 369609-88-1
• Molecular Formula: C10H12N2OS
• Molecular Weight: 208.284
• DSSTox Substance ID: DTXSID301329769
• Nikkaji Number: J2.451.970H
• ChEMBL ID: CHEMBL1418816
• Mol file: 369609-88-1.mol

Synonyms:3-amino-N-(4-methylphenyl)-3-thioxopropanamide;2-carbamothioyl-N-(4-methylphenyl)acetamide;369609-88-1;3-amino-N-(4-methylphenyl)-3-sulfanylidenepropanamide;MLS000767393;CHEMBL1418816;DTXSID301329769;HMS2791C03;2-Thiocarbamoyl-N-p-tolyl-acetamide;STL324447;AKOS001039297;3-amino-3-thioxo-N-p-tolylpropanamide;SMR000429724;CS-0220528;EN300-06880;SR-01000046234;SR-01000046234-1;Z56938019

Chemical Property of 3-amino-N-(4-methylphenyl)-3-thioxopropanamide

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 208.06703418
• Heavy Atom Count: 14
• Complexity: 222

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC(=O)CC(=S)N

Technology Process of 3-amino-N-(4-methylphenyl)-3-thioxopropanamide

There total 1 articles about 3-amino-N-(4-methylphenyl)-3-thioxopropanamide 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%

2-cyano-N-(4-methylphenyl)acetamide (6876-54-6) → 3-amino-N-(4-methylphenyl)-3-thioxopropanamide (369609-88-1)

Guidance literature:

With hydrogen sulfide; triethylamine; In ethanol; at 70 ℃; for 1.5h;

DOI:10.1023/A:1020912932335

Reference yield: 68.0%

methyl 2,4-dioxopentanoate (20577-61-1) + 3-amino-N-(4-methylphenyl)-3-thioxopropanamide (369609-88-1) → 2-(4-methylphenyl)-6-methyl-4-thioxo-4,5-dihydropyrrolo[3,4-c]pyridine-1,3-dione

Guidance literature:

methyl 2,4-dioxopentanoate; 3-amino-N-(4-methylphenyl)-3-thioxopropanamide; With triethylamine; In ethanol; at 20 ℃; for 2h;

With acetic acid; In ethanol; at 20 ℃; for 3h; pH=4 - 5; Further stages.;

DOI:10.1016/j.tet.2007.03.054

Reference yield: 62.0%

piperidine (110-89-4) + benzaldehyde (100-52-7) + malononitrile (109-77-3) + 3-amino-N-(4-methylphenyl)-3-thioxopropanamide (369609-88-1) → piperidinium 6-amino-5-cyano-3-N-(4-methylphenyl)carbamoyl-4-phenyl-1,4-dihydropyridine-2-thiolate (1412453-24-7)

Guidance literature:

In ethanol; at -4 - 20 ℃; for 27.5h;

DOI:10.1007/s11172-012-0019-4

upstream raw materials:

2-cyano-N-(4-methylphenyl)acetamide

Downstream raw materials:

piperidinium 6-amino-5-cyano-3-N-(4-methylphenyl)carbamoyl-4-phenyl-1,4-dihydropyridine-2-thiolate

N-(4-methylphenyl)-2-{2-[(4-methylphenyl)amino]-2-oxoethyl}-6-thioxo-1,6-dihydropyrimidine-5-carboxamide

4-({2-[(4-bromophenyl)amino]-2-oxoethyl}thio)-N-(4-methylphenyl)-2-{2-[(4-methylphenyl)amino]-2-oxoethyl}pyrimidine-5-carboxamide

ethyl [(2-{2-[(4-methylphenyl)amino]-2-oxoethyl}-5-[N-(4-methylphenyl)carbamoyl]pyrimidin-4-yl)thio]acetate

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