5-Acetyl-2,4-dimethylthiazole

Base Information

• Chemical Name: 5-Acetyl-2,4-dimethylthiazole
• CAS No.: 38205-60-6
• Molecular Formula: C7H9NOS
• Molecular Weight: 155.221
• Hs Code.: 29349990
• European Community (EC) Number: 253-826-0
• UNII: PD36FU2WGY
• DSSTox Substance ID: DTXSID8047680
• Nikkaji Number: J37.312E
• Wikidata: Q27286487
• Metabolomics Workbench ID: 49383
• ChEMBL ID: CHEMBL3185257
• Mol file: 38205-60-6.mol

Synonyms:5-Acetyl-2,4-dimethylthiazole;38205-60-6;2,4-dimethyl-5-acetylthiazole;1-(2,4-Dimethylthiazol-5-yl)ethanone;1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethanone;Ethanone, 1-(2,4-dimethyl-5-thiazolyl)-;FEMA No. 3267;nutty thiazole;2,4-Dimethyl-5-thiazoyl methyl ketone;1-(2,4-Dimethyl-5-thiazolyl)ethanone;UNII-PD36FU2WGY;Ketone, 2,4-dimethyl-5-thiazolyl methyl;PD36FU2WGY;1-(2,4-Dimethylthiazol-5-yl)ethan-1-one;MFCD00005331;1-(2,4-dimethyl-1,3-thiazol-5-yl)ethan-1-one;5-Acetyl-2,4-dimethyltriazole;1-(dimethyl-1,3-thiazol-5-yl)ethan-1-one;DTXSID8047680;Thiazole, 5-acetyl-2,4-dimethyl;EINECS 253-826-0;SCHEMBL211358;CHEMBL3185257;DTXCID6027680;2,4-dimethyl-5-acetyl thiazole;2,4-dimethyl-5-acetyl-thiazole;BLQOKWQUTLNKON-UHFFFAOYSA-;FEMA 3267;CHEBI:169013;2,4- dimethyl-5-acetyl thiazole;Thiazole, 5-acetyl-2,4-dimethyl-;Tox21_302567;AKOS008945988;5-Acetyl-2,4-dimethylthiazole, 96%;AM10291;AS-9276;2,4-Dimethyl-5-thiazolyl methyl ketone;NCGC00256706-01;1-(2,4-Dimethyl-5-thiazolyl)-Ethanone;2,4-Dimethyl-5-acetylthiazole, >=97%;AC-27309;DIMETHYL-5-ACETYLTHIAZOLE, 2,4-;Etanona, 1-(2,4-dimetil-5-tiazolil)-;SY033272;1-(2,4-dimethyl-thiazol-5-yl)-ethanone;CAS-38205-60-6;A1215;CS-0097780;FT-0619926;1-(2,4-Dimethyl-5-thiazolyl)ethanone, 9CI;EN300-36519;2,4-DIMETHYL-5-ACETYL-THIAZOLE [FHFI];F20383;1-(2,4-Dimethyl-1,3-thiazol-5-yl)ethanone #;1-(2,4-DIMETHYL-THIAZOL-5-YL)ETHANONE;A824051;AS-871/40187168;Q-100446;Q27286487;Z48850643;F1967-6732

Chemical Property of 5-Acetyl-2,4-dimethylthiazole

Chemical Property:

• Appearance/Colour: colorless to light yellow liquid
• Vapor Pressure: 0.0712mmHg at 25°C
• Refractive Index: n20/D 1.543(lit.)
• Boiling Point: 229 °C at 760 mmHg
• PKA: 1.97±0.10(Predicted)
• Flash Point: 100.3 °C
• PSA: 58.20000
• Density: 1.139 g/cm³
• LogP: 1.96250
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 155.04048508
• Heavy Atom Count: 10
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

5-Acetyl-2,4-dimethylthiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-43-22
• Safety Statements: 26-37/39-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Acetyl-2,4-dimethylthiazole

There total 9 articles about 5-Acetyl-2,4-dimethylthiazole 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: 80.0%

3-bromopentane-2,4-dione (3043-28-5) + thioacetamide (62-55-5) → 5-acetyl-2,4-dimethylthiazole (38205-60-6)

Guidance literature:

In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/j.bmcl.2019.03.020

Reference yield: 78.0%

thioacetamide (62-55-5) + 3-chloropentane-2,4-dione (1694-29-7) → 5-acetyl-2,4-dimethylthiazole (38205-60-6)

Guidance literature:

thioacetamide; 3-chloropentane-2,4-dione; In toluene; for 2h; Reflux; Dean-Stark;

With sodium carbonate; In chloroform; water; at 20 ℃;

DOI:10.1080/00397911.2020.1808224

Reference yield: 78.0%

1-(2,4-dimethylthiazol-5-yl)ethan-1-one oxime (40236-03-1) → 5-acetyl-2,4-dimethylthiazole (38205-60-6)

Guidance literature:

With selenium(IV) oxide; In toluene; Heating;

upstream raw materials:

ethanol

thioacetamide

3-chloropentane-2,4-dione

acetamide

Downstream raw materials:

4-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]aniline

5-bromoacetyl-2,4-dimethylthiazole hydrobromide

3-(2',4'-Dimethyl-[4,5']bithiazolyl-2-ylamino)-4-trifluoromethoxy-benzamide

(2',4'-Dimethyl-[4,5']bithiazolyl-2-yl)-[5-(3,5-dimethyl-isoxazol-4-yl)-2-methoxy-phenyl]-amine

Refernces

• 1、 Kulyk, Olesia G.,Biloborodov, Dmytro A.,Cherevatenko, Maksim A.,Shyriakin, Yevhen Y.,Lyapunov, Alexander Yu.,Mazepa, Alexander V.,Vashchenko, Valerii V.,Orlov, Valeriy D.,Kolosov, Maksim A.. "Versatile approaches to a library of building blocks based on 5-acylthiazole skeleton". supporting information. p. 3616 - 3628. Retrieved 2020/09/07.
• 2、 Kayagil, Ismail,Demirayak, Seref. "Synthesis and anticancer activities of some thiazole derivatives". scheme or table. p. 2197 - 2207. Retrieved 2010/04/24.