5-Ethyl-4-methylthiazole

Base Information

• Chemical Name: 5-Ethyl-4-methylthiazole
• CAS No.: 31883-01-9
• Molecular Formula: C6H9 N S
• Molecular Weight: 127.21
• Hs Code.: 2934100090
• European Community (EC) Number: 250-852-4
• UNII: 4M216HR018
• DSSTox Substance ID: DTXSID00953789
• Nikkaji Number: J108.862I
• Wikidata: Q27260060
• Metabolomics Workbench ID: 44020
• ChEMBL ID: CHEMBL3275138
• Mol file: 31883-01-9.mol

Synonyms:5-Ethyl-4-methylthiazole;31883-01-9;5-Ethyl-4-methyl-1,3-thiazole;4-Methyl-5-ethylthiazole;EINECS 250-852-4;5-Ethyl-4-methyl-thiazole;Thiazole, 4-methyl-5-ethyl;Thiazole, 5-ethyl-4-methyl-;CHEMBL3275138;UNII-4M216HR018;4M216HR018;SCHEMBL290725;DTXSID00953789;CHEBI:178614;AMY18970;BDBM50016814;MFCD09834442;AKOS006326645;AS-37712;CS-0313216;FT-0763761;J-517474;Q27260060

Chemical Property of 5-Ethyl-4-methylthiazole

Chemical Property:

• Vapor Pressure: 1.17mmHg at 25°C
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 181.3°Cat760mmHg
• PKA: 3.56±0.10(Predicted)
• Flash Point: 68.1°C
• PSA: 41.13000
• Density: 1.049g/cm³
• LogP: 2.01390
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 127.04557046
• Heavy Atom Count: 8
• Complexity: 74.9

Purity/Quality:

97% ^*data from raw suppliers

5-Ethyl-4-methylthiazole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(N=CS1)C

Technology Process of 5-Ethyl-4-methylthiazole

There total 6 articles about 5-Ethyl-4-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: 95.0%

4-methyl-5-vinylthiazole (1759-28-0) → 4-methyl-5-ethylthiazole (31883-01-9)

Guidance literature:

With palladium on activated charcoal; hydrogen; In methanol; for 4h; under 600.048 Torr;

DOI:10.1021/jm0492608

Reference yield:

2-ethyl-2-chloro-acetoacetic acid ethyl ester (130000-37-2) → 4-methyl-5-ethylthiazole (31883-01-9)

Guidance literature:

Multi-step reaction with 2 steps

1: glacial acetic acid / anschliessend mit konz. HCl auf 100grad

With acetic acid;

DOI:10.1021/ja01219a012

Reference yield:

2-Pentanone (107-87-9) → 4-methyl-5-ethylthiazole (31883-01-9)

Guidance literature:

Multi-step reaction with 2 steps

1: SO₂Cl₂; benzene / 20 °C

With sulfuryl dichloride; benzene;

DOI:10.1021/ja01219a012

upstream raw materials:

ethanol

thiocarboxamide

3-chloropentan-2-one

4-methyl-5-vinylthiazole