4-Methyl-5-vinylthiazole

Base Information

• Chemical Name: 4-Methyl-5-vinylthiazole
• CAS No.: 1759-28-0
• Molecular Formula: C6H7NS
• Molecular Weight: 125.194
• Hs Code.: 29349990
• European Community (EC) Number: 217-160-4
• UNII: 1G77935P78
• DSSTox Substance ID: DTXSID5061952
• Nikkaji Number: J24.662J
• Wikidata: Q27252385
• Metabolomics Workbench ID: 45159
• Mol file: 1759-28-0.mol

Synonyms:4-methyl-5-vinylthiazole

Chemical Property of 4-Methyl-5-vinylthiazole

Chemical Property:

• Appearance/Colour: clear yellow to brown liquid
• Vapor Pressure: 0.962mmHg at 25°C
• Melting Point: -15 °C(lit.)
• Refractive Index: 1.560 - 1.570
• Boiling Point: 185.3 °C at 760 mmHg
• PKA: 3.17±0.10(Predicted)
• Flash Point: 70.6 °C
• PSA: 41.13000
• Density: 1.094 g/cm³
• LogP: 2.09450
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 125.02992040
• Heavy Atom Count: 8
• Complexity: 92.5

Purity/Quality:

≥99% ^*data from raw suppliers

4-Methyl-5-vinylthiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38-20/21/22
• Safety Statements: 26-36-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(SC=N1)C=C
• Uses: 4-Methyl-5-vinylthiazole is found in flowers and is highly attractive to both male and female beetles of three species of the genus Cyclocephala, pollinators of the studied plant taxa.

Technology Process of 4-Methyl-5-vinylthiazole

There total 11 articles about 4-Methyl-5-vinylthiazole 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: 91.0%

4-methyl-5-(β-nitroxyethyl)thiazole → 4-methyl-5-vinylthiazole (1759-28-0)

Guidance literature:

With sodium hydroxide; In methanol; water; for 1.5h; Heating;

DOI:10.1007/BF02508415

Reference yield: 90.0%

5-(2-methylsulfonyloxyethyl)-4-methylthiazole (121688-30-0) → 4-methyl-5-vinylthiazole (1759-28-0)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide; In water; at 0 - 40 ℃; for 2.5h; Reagent/catalyst; Temperature; Time;

DOI:10.1021/op800001d

Reference yield:

ethene (74-85-1) + 4-methyl-5-iodothiazole → 4-methyl-5-vinylthiazole (1759-28-0)

Guidance literature:

With N-Methyldicyclohexylamine; palladium diacetate; tetra-(n-butyl)ammonium iodide; tri tert-butylphosphoniumtetrafluoroborate; In methanol; toluene; at 130 ℃; for 0.333333h; under 7500.75 Torr;

DOI:10.1002/cctc.201200778

upstream raw materials:

5-hydroxyethyl-4-methylthiazole

chlormethiazole

5-(2-bromoethyl)-4-methyl-1,3-thiazole

vitamin B₁

Downstream raw materials:

[1-[4-(4-methoxy-2,3,6-trimethyl-benzenesulfonylamino)-cyclohexyl]-2-(4-methyl-5-vinyl-thiazol-2-yl)-2-oxo-ethyl]-carbamic acid tert-butyl ester

4-methyl-5-ethylthiazole

5-(endo-bicyclo[2.2.1]hept-5-en-2-yl)-4-methyl-1,3-thiazole

5-(exo-bicyclo[2.2.1]hept-5-en-2-yl)-4-methyl-1,3-thiazole