Thiazole, 4-(phenylethynyl)-

Base Information

• Chemical Name: Thiazole, 4-(phenylethynyl)-
• CAS No.: 111600-88-5
• Molecular Formula: C11H7NS
• Molecular Weight: 185.249
• ChEMBL ID: CHEMBL63093
• DSSTox Substance ID: DTXSID10472118
• Pharos Ligand ID: AKMJ7HC5F7TJ
• Wikidata: Q82300903
• Mol file: 111600-88-5.mol

Synonyms:4-Phenylethynyl-thiazole;CHEMBL63093;Thiazole, 4-(phenylethynyl)-;111600-88-5;SCHEMBL18867911;DTXSID10472118;BDBM50122761

Chemical Property of Thiazole, 4-(phenylethynyl)-

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 185.02992040
• Heavy Atom Count: 13
• Complexity: 219

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C#CC2=CSC=N2

Technology Process of Thiazole, 4-(phenylethynyl)-

There total 1 articles about Thiazole, 4-(phenylethynyl)- 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: 77.0%

4-bromo-1,3-thiazole (34259-99-9) + phenylacetylene (536-74-3) → 4-Phenylethynyl-thiazole (111600-88-5)

Guidance literature:

With copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; triethylamine; In 1,2-dimethoxyethane; at 80 ℃; for 5h;

DOI:10.1021/jm025570j

upstream raw materials:

4-bromo-1,3-thiazole

phenylacetylene