5-Methylthiazole

Base Information

• Chemical Name: 5-Methylthiazole
• CAS No.: 3581-89-3
• Molecular Formula: C4H5NS
• Molecular Weight: 99.1564
• Hs Code.: 2934100090
• European Community (EC) Number: 626-260-0
• DSSTox Substance ID: DTXSID80189347
• Nikkaji Number: J129.798H
• Wikidata: Q72491148
• Metabolomics Workbench ID: 45892
• Mol file: 3581-89-3.mol

Synonyms:5-Methylthiazole;3581-89-3;5-Methyl-1,3-thiazole;Thiazole, 5-methyl-;5-methyl-thiazole;MFCD00005335;5-methyl thiazole;5-Methylthiazole, 97%;5-Methyl-1,3-thiazole #;SCHEMBL5007924;DTXSID80189347;AKOS015897351;CS-W007489;BP-12694;FT-0620673;M2234;EN300-82995;A822987

Chemical Property of 5-Methylthiazole

Chemical Property:

• Vapor Pressure: 7.069mmHg at 25°C
• Melting Point: -40.3°C
• Refractive Index: n20/D 1.528(lit.)
• Boiling Point: 142.237 °C at 760 mmHg
• PKA: pK1:3.03(+1) (25°C,μ=0.1)
• Flash Point: 42.222 °C
• PSA: 41.13000
• Density: 1.121 g/cm³
• LogP: 1.45150
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Insoluble in water.
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 99.01427034
• Heavy Atom Count: 6
• Complexity: 46.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

5-Methylthiazole ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CN=CS1
• Uses: 5-methyl thiazole undergoes alkylation with n-butyl bromide followed by anion exchange of Br- for BF4- to yeild mobile, room-temperature ionic liquids.

Technology Process of 5-Methylthiazole

There total 18 articles about 5-Methylthiazole 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: 86.0%

5-methyl-2-thiazol-2-amine (7305-71-7) → 5-methylthiazole (3581-89-3)

Guidance literature:

With tetrahydrofuran; oxygen; nitrogen(II) oxide; for 2h; Ambient temperature;

DOI:10.1248/cpb.45.1547

Reference yield: 46.0%

1-isothiocyanatopropa-1,2-diene (137768-73-1) → 5-methylthiazole (3581-89-3)

Guidance literature:

With sodium cyanoborohydride; In methanol; diethyl ether; at 20 ℃; for 216h;

DOI:10.1055/s-2005-872203

Reference yield:

Au(Cl)3(C4H5NS) (134657-88-8) + chloride (16887-00-6) → 5-methylthiazole (3581-89-3) + tetrachloroaurate(III)(1-) (14337-12-3)

Guidance literature:

In methanol; dichloromethane; water; addn. of Au-complex in dichloromethane to LiCl+HClO4 in methanol:water (95:5 v/v) at 25 °C; detected by UV; Kinetics;

DOI:10.1039/DT9910000307

upstream raw materials:

2-chloro-5-methyl-thiazole

diethyl ether

2-chloropropanal

thiocarboxamide

Downstream raw materials:

5-(bromomethyl)thiazole

4-methylisothiazole

3-(2-phenyl-2-oxoethyl)-5-methyl-thiazolium bromide

Refernces

• 1、 Erlenmeyer,Schmidt. "-". . p. 1958. Retrieved 1946.
• 2、 Pitteri, Bruno,Bortoluzzi, Marco. "Reactivity of neutral nitrogen donors in square-planar d8 metal complexes: The system chloro(2,2′:6′,2″-terpyridine)platinum(II) cation with five-membered N-donor heterocycles in methanol". . p. 2698 - 2704. Retrieved 2008/10/09.
• 3、 -. "Thiazole, imidazole and oxazole compounds and treatments of disorders associated with protein aging". . . Retrieved 2008/06/13.