Methyl 5-ethylthiazole-4-carboxylate

Base Information

• Chemical Name: Methyl 5-ethylthiazole-4-carboxylate
• CAS No.: 81569-45-1
• Molecular Formula: C₇H₉NO₂S
• Molecular Weight: 171.22
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID70515257
• Wikidata: Q82376045
• Mol file: 81569-45-1.mol

Synonyms:Methyl 5-ethylthiazole-4-carboxylate;81569-45-1;Methyl 5-ethyl-1,3-thiazole-4-carboxylate;Methyl5-ethylthiazole-4-carboxylate;SCHEMBL535693;DTXSID70515257;UJWHTPUQSUHEGZ-UHFFFAOYSA-N

Chemical Property of Methyl 5-ethylthiazole-4-carboxylate

Chemical Property:

• Melting Point: 34-35 °C
• Boiling Point: 273.6±28.0 °C(Predicted)
• PKA: 0.67±0.10(Predicted)
• PSA: 67.43000
• Density: 1.198±0.06 g/cm3(Predicted)
• LogP: 1.49210
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 171.03539970
• Heavy Atom Count: 11
• Complexity: 151

Purity/Quality:

98% ^*data from raw suppliers

methyl5-ethylthiazole-4-carboxylate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(N=CS1)C(=O)OC

Technology Process of Methyl 5-ethylthiazole-4-carboxylate

There total 2 articles about Methyl 5-ethylthiazole-4-carboxylate 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: 78.0%

methyl 2-amino-5-ethyl-1,3-thiazole-4-carboxylate (28942-54-3) → methyl 5-ethylthiazole-4-carboxylate (81569-45-1)

Guidance literature:

methyl 2-amino-5-ethyl-1,3-thiazole-4-carboxylate; With hypophosphorous acid; sodium nitrite; In water; at 0 - 20 ℃; for 3h;

With sodium hydroxide; In water; at 0 ℃;

Reference yield:

methyl 2-chloro-5-ethylthiazole-4-carboxylate (1219632-45-7) → methyl 5-ethylthiazole-4-carboxylate (81569-45-1)

Guidance literature:

With LiOH; In methanol; tetrahydrofuran-water;

Reference yield: 73.0%

methyl 5-ethylthiazole-4-carboxylate (81569-45-1) → 5-ethyl-1,3-thiazole-4-carboxylic acid (864437-40-1)

Guidance literature:

methyl 5-ethylthiazole-4-carboxylate; With water; lithium hydroxide; In tetrahydrofuran; methanol; at 20 ℃;

With hydrogenchloride; In diethyl ether;

upstream raw materials:

methyl 2-amino-5-ethyl-1,3-thiazole-4-carboxylate

methyl 2-chloro-5-ethylthiazole-4-carboxylate

Downstream raw materials:

5-ethyl-1,3-thiazole-4-carboxylic acid

methyl 3-vinylpicolinate