5-Ethyl-2-methylthiazole

Base Information

• Chemical Name: 5-Ethyl-2-methylthiazole
• CAS No.: 19961-52-5
• Molecular Formula: C6H9 N S
• Molecular Weight: 127.21
• Hs Code.: 2934100090
• European Community (EC) Number: 639-016-3
• UNII: 3QA6DD1325
• DSSTox Substance ID: DTXSID80173746
• Nikkaji Number: J437.617J
• Wikidata: Q27257902
• Metabolomics Workbench ID: 48827
• Mol file: 19961-52-5.mol

Synonyms:5-Ethyl-2-methylthiazole;5-Ethyl-2-methyl-1,3-thiazole;2-Methyl-5-ethylthiazole;Thiazole, 5-ethyl-2-methyl-;19961-52-5;FEMA No. 4388;UNII-3QA6DD1325;3QA6DD1325;5-Ethyl-2-methylthiazole [FIFH];5-ethyl-2-methyl thiazole;SCHEMBL1398205;DTXSID80173746;CHEBI:178618;AKOS006372965;5-ETHYL-2-METHYLTHIAZOLE [FHFI];FT-0708295;Q27257902

Chemical Property of 5-Ethyl-2-methylthiazole

Chemical Property:

• Vapor Pressure: 1.71mmHg at 25°C
• Refractive Index: 1.524
• Boiling Point: 173.3°C at 760 mmHg
• PKA: 3.86±0.10(Predicted)
• Flash Point: 56.7°C
• PSA: 41.13000
• Density: 1.049g/cm³
• LogP: 2.01390
• XLogP3: 2.2
• 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:

5-ETHYL-2-METHYLTHIAZOLE 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CN=C(S1)C

Technology Process of 5-Ethyl-2-methylthiazole

There total 3 articles about 5-Ethyl-2-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:

L-Cysteine (52-90-4) → 2,4,5-trimethylthiazole (13623-11-5) + 5-ethyl-2-methylthiazole (19961-52-5) + 2-ethyl-3,6-dimethylpyrazine (13360-65-1) + 3,6-dimethyl-1,2,4,5-tetrathiane (67411-27-2) + 3-methyl-1,2,4-trithiane (43040-01-3) + 2,4-dimethyl-5-ethylthiazole (38205-61-7)

Guidance literature:

With cellulose; at 185 ℃; for 0.333333h; Product distribution; Mechanism; also in the presence of D-ribose and lecithin and in the absence of cellulose;

DOI:10.1021/jf00053a033

Reference yield:

acetamide (60-35-5) + 2-bromobutanal (24764-97-4,58031-09-7) → 5-ethyl-2-methylthiazole (19961-52-5)

Guidance literature:

Multistep reaction; (i) P₂S₅, MgCO₃, dioxane, (ii) /BRN= 1699104/;

Reference yield:

→ 5-ethyl-2-methylthiazole (19961-52-5)

Guidance literature:

Cystin: Pyrolyse;

DOI:10.1271/bbb1961.37.1759

upstream raw materials:

acetamide

2-bromobutanal

L-Cysteine

Refernces

• 1、 Kato,Kurata,Ishiguro,Fujimaki. "Additional volatile compounds produced by pyrolysis of sulfur containing amino acids". . p. 1759 - 1761. Retrieved 2007/10/04.