2-Acetyl-4-methylthiophene

Base Information

• Chemical Name: 2-Acetyl-4-methylthiophene
• CAS No.: 13679-73-7
• Molecular Formula: C7H8OS
• Molecular Weight: 140.206
• Hs Code.: 2934999090
• European Community (EC) Number: 237-180-7
• NSC Number: 80386
• DSSTox Substance ID: DTXSID50159931
• Nikkaji Number: J236.244I
• Wikidata: Q83028305
• Mol file: 13679-73-7.mol

Synonyms:2-Acetyl-4-methylthiophene;13679-73-7;1-(4-methylthiophen-2-yl)ethanone;1-(4-Methyl-2-thienyl)ethanone;Ethanone, 1-(4-methyl-2-thienyl)-;4-METHYL-2-ACETYLTHIOPHENE;1-(4-Methyl-2-thienyl)ethan-1-one;1-(4-Methyl-Thiophen-2-Yl)-Ethanone;EINECS 237-180-7;MFCD00027395;AI3-61742;2-Acetyl-4-methylthiophene, 97%;NSC80386;(quinolin-2-ylmethyl)amine;(4-methylthiophenyl)ethanone;SCHEMBL1612962;NFZNHUNPIJPRMP-UHFFFAOYSA-;DTXSID50159931;NSC 80386;NSC-80386;AKOS006223683;FS-4485;1-(4-methylthiophen-2-yl)ethan-1-one;SY101199;CS-0186262;FT-0610957;D71110;EN300-1270058;A807134;J-006911

Chemical Property of 2-Acetyl-4-methylthiophene

Chemical Property:

• Vapor Pressure: 0.0461mmHg at 25°C
• Refractive Index: n20/D 1.5600(lit.)
• Boiling Point: 236.927 °C at 760 mmHg
• Flash Point: 97.09 °C
• PSA: 45.31000
• Density: 1.106 g/cm³
• LogP: 2.25910
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 140.02958605
• Heavy Atom Count: 9
• Complexity: 122

Purity/Quality:

97% ^*data from raw suppliers

1-(4-Methylthiophen-2-yl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36-43
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CSC(=C1)C(=O)C

Technology Process of 2-Acetyl-4-methylthiophene

There total 7 articles about 2-Acetyl-4-methylthiophene 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: 68.8%

3-Methylthiophene (616-44-4,84928-92-7) + N-Methoxy-N-methylacetamide (78191-00-1) → 1-(4-methyl-thiophen-2-yl)-ethanone (13679-73-7,97511-21-2)

Guidance literature:

3-Methylthiophene; With 2,2,6,6-tetramethyl-piperidine; isopropylmagnesium chloride; In tetrahydrofuran; at 66 ℃; Inert atmosphere;

N-Methoxy-N-methylacetamide; In tetrahydrofuran; at 0 ℃; for 18.5h; regioselective reaction; Inert atmosphere;

DOI:10.1021/op100226k

Reference yield: 65.0%

2-ethyl-3-methyl-thiophene (31805-48-8) + acetic anhydride (108-24-7) → 1-(4-methyl-thiophen-2-yl)-ethanone (13679-73-7,97511-21-2) + 2-acetyl-3-methylthiophene (13679-72-6)

Guidance literature:

With phosphoric acid; Yield given;

DOI:10.1007/BF00503478

Reference yield: 33.0%

6,6-dimethyl-2H,6H-thiin-3-one 1-oxide (151051-11-5) → 1-(4-methyl-thiophen-2-yl)-ethanone (13679-73-7,97511-21-2)

Guidance literature:

In methanol; for 8h; Irradiation;

DOI:10.1002/hlca.19930760311

upstream raw materials:

3-Methylthiophene

acetic anhydride

2-ethyl-3-methyl-thiophene

6,6-dimethyl-2H,6H-thiin-3-one 1-oxide

Downstream raw materials:

4-methylthiophene-2-carboxylic acid

2-chloro-8-methyl-3-[3-(4-methylthiophen-2-yl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline