2,4-Dimethylthiazole

Base Information

• Chemical Name: 2,4-Dimethylthiazole
• CAS No.: 541-58-2
• Molecular Formula: C5H7NS
• Molecular Weight: 113.183
• Hs Code.: 29339900
• European Community (EC) Number: 208-786-9
• NSC Number: 7510
• UNII: LHT97038OA
• DSSTox Substance ID: DTXSID2060250
• Nikkaji Number: J45.578D
• Wikidata: Q27282995
• Metabolomics Workbench ID: 45823
• Mol file: 541-58-2.mol

Synonyms:2,4-DIMETHYLTHIAZOLE;541-58-2;2,4-Dimethyl-1,3-thiazole;Thiazole, 2,4-dimethyl-;2,4-Methylthiazole;2,4-dimethyl-thiazole;C5H7NS;NSC 7510;EINECS 208-786-9;BRN 0106414;UNII-LHT97038OA;LHT97038OA;NSC-7510;MFCD00014509;4-27-00-00981 (Beilstein Handbook Reference);2.4-Dimethyl thiazole;dimethylthiazol;NSC7510;2,4 dimethylthiazole;2.4-dimethylthiazole;Thiazole,4-dimethyl-;2,4-dimethyl thiazole;2, 4-Dimethylthiazole;SCHEMBL128316;DTXSID2060250;WLN: T5N CSJ B1 E1;2,4-Dimethyl-1,3-thiazole #;CHEBI:193946;2,4-Dimethylthiazole, >=95%, FG;AKOS000121561;CS-W013648;BP-10584;LS-150974;AM20100334;D1220;FT-0610190;EN300-16084;O10604;A830001;Q-100612;Q27282995;Z48850603

Chemical Property of 2,4-Dimethylthiazole

Chemical Property:

• Appearance/Colour: Colorless to light yellow liquid
• Vapor Pressure: 4.28mmHg at 25°C
• Melting Point: 272 °C
• Refractive Index: n20/D 1.509(lit.)
• Boiling Point: 153.4 °C at 760 mmHg
• PKA: pK1:3.98 (25°C,μ=0.1)
• Flash Point: 46 °C
• PSA: 41.13000
• Density: 1.081 g/cm³
• LogP: 1.75990
• Storage Temp.: −20°C
• Water Solubility.: Slightly soluble in water
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 113.02992040
• Heavy Atom Count: 7
• Complexity: 65.1

Purity/Quality:

99% ^*data from raw suppliers

2,4-Dimethylthiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, F
• Hazard Codes: Xi,F
• Statements: 10-36/37/38
• Safety Statements: 16-26-36-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CSC(=N1)C
• Uses: 2,4-Dimethylthiazole is a substance used in the preparation of insects repellant. It also functions as an anesthetic for aquatic animals. 2,4-Dimethylthiazole is a flavor component of peanut oils.

Technology Process of 2,4-Dimethylthiazole

There total 19 articles about 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: 97.0%

thioacetamide (62-55-5) + chloroacetone (78-95-5) → 2,4-dimethylthiazole (541-58-2)

Guidance literature:

In benzene; for 1h; Heating;

DOI:10.1021/jo00245a016

Reference yield: 75.0%

thioacetamide (62-55-5) + 1-bromoacetone (598-31-2) → 2,4-dimethylthiazole (541-58-2)

Guidance literature:

In N,N-dimethyl-formamide; at 60 ℃; for 1h; Sealed tube;

DOI:10.1016/j.tet.2013.10.053

Reference yield:

1-iminoethylthiopropanone hydrobromide (76133-03-4) → 2,4-dimethylthiazole (541-58-2)

Guidance literature:

With sodium carbonate; In acetic acid; at 40 - 50 ℃;

DOI:10.1248/cpb.28.1584

upstream raw materials:

2,4-dimethyloxazole

α-(2-methyl-4-thiazolyl)acetic acid

4-chloromethyl-2-methylthiazole hydrochloride

thioacetamide

Downstream raw materials:

2-(2-methylthiazol-4-yl)ethanol

3-(2-cyclohexyl-ethyl)-2,4-dimethyl-thiazolium; bromide

3-Benzyl-2,4-dimethyl-thiazolium

4-methyl-2-(4-nitro-trans-styryl)-thiazole

Refernces

• 1、 Canovese, Luciano,Cattalini, Lucio,Tomaselli, Michele,Tobe, Martin L.. "Reactivity of Heterocyclic Nitrogen Donors in Systems containing the Tetrachloroaurate(III) Anion". . p. 307 - 314. Retrieved 2007/10/02.
• 2、 -. "Novel skin-whitening agent". . . Retrieved 2008/06/13.