1-(3-Benzyl-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone

Base Information

• Chemical Name: 1-(3-Benzyl-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone
• CAS No.: 670261-50-4
• Molecular Formula: C₁₃H₁₃NOS₂
• Molecular Weight: 263.384
• DSSTox Substance ID: DTXSID901333760
• ChEMBL ID: CHEMBL1513946
• Mol file: 670261-50-4.mol

Synonyms:1-(3-benzyl-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)ethanone;MLS001164931;CHEMBL1513946;DTXSID901333760;HMS2867L07;1-(3-benzyl-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone;STL336978;AKOS022103092;670261-50-4;SMR000540185

Chemical Property of 1-(3-Benzyl-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 263.04385639
• Heavy Atom Count: 17
• Complexity: 370

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(SC(=S)N1CC2=CC=CC=C2)C(=O)C

Technology Process of 1-(3-Benzyl-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone

There total 1 articles about 1-(3-Benzyl-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone 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%

carbon disulfide (75-15-0,12122-00-8) + 3-chloropentane-2,4-dione (1694-29-7) + benzylamine (100-46-9) → 1-[3-benzyl-4-methyl-2-thioxo-2,3-dihydrothiazole-5-yl]ethanone (670261-50-4)

Guidance literature:

carbon disulfide; benzylamine; at 20 ℃; for 0.5h; neat liquid;

3-chloropentane-2,4-dione; at 20 ℃; neat liquid;

DOI:10.1080/17415993.2012.688829

Reference yield: 98.0%

C9H7BrN2O2 + 1-[3-benzyl-4-methyl-2-thioxo-2,3-dihydrothiazole-5-yl]ethanone (670261-50-4) → 7-acetyl-9-benzyl-1-(4-bromophenyl)-8-methyl-3-methoxycarbonyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene (670264-09-2)

Guidance literature:

With triethylamine; In dichloromethane; isopropyl alcohol; at 20 ℃;

DOI:10.1134/S1070428007100193

upstream raw materials:

carbon disulfide

3-chloropentane-2,4-dione

benzylamine

Downstream raw materials:

7-acetyl-9-benzyl-1-(4-bromophenyl)-8-methyl-3-methoxycarbonyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene