4-Ethynyl-2-methylthiazole

Base Information

• Chemical Name: 4-Ethynyl-2-methylthiazole
• CAS No.: 107263-89-8
• Molecular Formula: C6H5 N S
• Molecular Weight: 123.178
• Hs Code.: 2934100090
• European Community (EC) Number: 848-188-0
• DSSTox Substance ID: DTXSID20469559
• Wikidata: Q82297342
• Mol file: 107263-89-8.mol

Synonyms:4-Ethynyl-2-methylthiazole;107263-89-8;4-ethynyl-2-methyl-1,3-thiazole;Thiazole, 4-ethynyl-2-methyl-;MFCD18207414;LCZC3004;SCHEMBL1244046;DTXSID20469559;FYWOKPLZXCNQSZ-UHFFFAOYSA-N;2-methyl-4-ethynyl-1,3-thiazole;AKOS016012785;AS-78091;SY148532;CS-0158555;FT-0696157;EN300-131374;A895659;Z1255434142

Chemical Property of 4-Ethynyl-2-methylthiazole

Chemical Property:

• PSA: 41.13000
• LogP: 1.43280
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 123.01427034
• Heavy Atom Count: 8
• Complexity: 124

Purity/Quality:

97% ^*data from raw suppliers

4-Ethynyl-2-methylthiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=CS1)C#C

Technology Process of 4-Ethynyl-2-methylthiazole

There total 8 articles about 4-Ethynyl-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: 50.0%

4-(2-Methyl-4-thiazolyl)1,2,3-selenadiazoles (107263-88-7) → (2-Methyl-4-thiazolyl)acetylene (107263-89-8)

Guidance literature:

at 145 ℃; for 0.0833333h;

Reference yield:

ethyl 2-methylthiazole-4-carboxylate (6436-59-5) → (2-Methyl-4-thiazolyl)acetylene (107263-89-8)

Guidance literature:

Multi-step reaction with 2 steps

1: DIBALH / CH₂Cl₂ / -78 °C

2: K₂CO₃ / methanol / 20 °C

With diisobutylaluminium hydride; potassium carbonate; In methanol; dichloromethane;

DOI:10.1016/j.bmcl.2005.03.018

Reference yield:

2-methyl-4-[(trimethylsilyl)ethynyl]-1,3-thiazole (329203-85-2) → (2-Methyl-4-thiazolyl)acetylene (107263-89-8)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 20 ℃; for 0.166667h;

DOI:10.1021/jm050570f

upstream raw materials:

4-(2-Methyl-4-thiazolyl)1,2,3-selenadiazoles

dimethyl 1-(1-diazo-2-oxopropyl)phosphonate

2-methylthiazole-4-carbaldehyde

2-methyl-4-[(trimethylsilyl)ethynyl]-1,3-thiazole