1-[4-Methyl-2-(2-thienyl)-1,3-thiazol-5-yl]-1-ethanone

Base Information

• Chemical Name: 1-[4-Methyl-2-(2-thienyl)-1,3-thiazol-5-yl]-1-ethanone
• CAS No.: 56421-61-5
• Molecular Formula: C₁₀H₉NOS₂
• Molecular Weight: 223.32
• DSSTox Substance ID: DTXSID10372523
• Wikidata: Q82160279
• Mol file: 56421-61-5.mol

Synonyms:56421-61-5;1-[4-methyl-2-(2-thienyl)-1,3-thiazol-5-yl]-1-ethanone;1-(4-Methyl-2-(thiophen-2-yl)thiazol-5-yl)ethanone;1-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethanone;1-[4-methyl-2-(2-thienyl)-1,3-thiazol-5-yl]ethan-1-one;1-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]ethan-1-one;SCHEMBL288141;1-(4-methyl-2-thiophen-2-yl-thiazol-5-yl)-ethanone;DTXSID10372523;GRYWITIQEPSTMV-UHFFFAOYSA-N;MFCD00112084;AKOS001297501;FT-0701818;AB00758683-01;7R-0806;1-(4-methyl-2-thiophen-2-yl-thiazol-5-yl)ethanone;Z48863098;1-[4-methyl-2-(2-thienyl)-1,3-thiazol-5-yl]ethan-1-one, AldrichCPR

Chemical Property of 1-[4-Methyl-2-(2-thienyl)-1,3-thiazol-5-yl]-1-ethanone

Chemical Property:

• Vapor Pressure: 6.75E-06mmHg at 25°C
• Melting Point: 121 °C
• Refractive Index: 1.609
• Boiling Point: 377.4°Cat760mmHg
• Flash Point: 182.1°C
• PSA: 86.44000
• Density: 1.278g/cm³
• LogP: 3.38260
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 223.01255626
• Heavy Atom Count: 14
• Complexity: 234

Purity/Quality:

98%min ^*data from raw suppliers

1-[4-METHYL-2-(2-THIENYL)-1,3-THIAZOL-5-YL]-1-ETHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC(=N1)C2=CC=CS2)C(=O)C

Technology Process of 1-[4-Methyl-2-(2-thienyl)-1,3-thiazol-5-yl]-1-ethanone

There total 3 articles about 1-[4-Methyl-2-(2-thienyl)-1,3-thiazol-5-yl]-1-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: 64.0%

thiophene-2-carbothioamide (20300-02-1) + 3-bromopentane-2,4-dione (3043-28-5) → 5-acetyl-4-methyl-2-(2-thienyl)thiazole (56421-61-5)

Guidance literature:

In ethanol; for 3h; Heating;

Reference yield:

thiophene (188290-36-0,8014-23-1,25233-34-5) + 5-acetyl-4-methylthiazole-2-amine (30748-47-1) → 5-acetyl-4-methyl-2-(2-thienyl)thiazole (56421-61-5)

Guidance literature:

With isopentyl nitrite; at 70 - 80 ℃;

DOI:10.1021/jo00910a005

Reference yield:

C11H12N2O2S2 (1232031-53-6) + methylmagnesium bromide (75-16-1) → 5-acetyl-4-methyl-2-(2-thienyl)thiazole (56421-61-5)

Guidance literature:

In tetrahydrofuran; at 0 ℃;

DOI:10.1016/j.bmcl.2010.03.052

upstream raw materials:

thiophene

5-acetyl-4-methylthiazole-2-amine

thiophene-2-carbothioamide

3-bromopentane-2,4-dione

Downstream raw materials:

N-[1-(4-Methyl-2-thiophen-2-yl-thiazol-5-yl)-eth-(E)-ylidene]-N'-(4-phenyl-thiazol-2-yl)-hydrazine

N-[4-(4-Chloro-phenyl)-thiazol-2-yl]-N'-[1-(4-methyl-2-thiophen-2-yl-thiazol-5-yl)-eth-(E)-ylidene]-hydrazine

N-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-N'-[1-(4-methyl-2-thiophen-2-yl-thiazol-5-yl)-eth-(E)-ylidene]-hydrazine