Ethyl 2-methylthiazole-5-carboxylate

Base Information

• Chemical Name: Ethyl 2-methylthiazole-5-carboxylate
• CAS No.: 79836-78-5
• Molecular Formula: C7H9NO2S
• Molecular Weight: 171.22
• Hs Code.: 2934100090
• European Community (EC) Number: 688-402-8
• DSSTox Substance ID: DTXSID60510392
• Wikidata: Q72476240
• Mol file: 79836-78-5.mol

Synonyms:Ethyl 2-methylthiazole-5-carboxylate;79836-78-5;ethyl 2-methyl-1,3-thiazole-5-carboxylate;2-methyl-thiazole-5-carboxylic acid ethyl ester;2-Methylthiazole-5-carboxylic acid ethyl ester;MFCD03840442;Ethyl 2-methyl-thiazole-5-carboxylate;ETHYL 2-METHYL-5-THIAZOLECARBOXYLATE;2-Methyl-5-thiazolecarboxylic acid ethyl ester;5-Thiazolecarboxylic acid, 2-methyl-, ethyl ester;SCHEMBL286068;DTXSID60510392;ORCQTMZHDQSNOJ-UHFFFAOYSA-N;AMY24776;Ethyl2-methylthiazole-5-carboxylate;AKOS005259668;ethyl 2-methyl-5-thiazole carboxylate;CS-W005912;PB30777;PS-3935;AC-24500;CS-10940;SY033439;A9932;FT-0600175;J-520778

Chemical Property of Ethyl 2-methylthiazole-5-carboxylate

Chemical Property:

• Appearance/Colour: colorless or pale yellow liquid
• Vapor Pressure: 0.035mmHg at 25°C
• Refractive Index: 1.528
• Boiling Point: 242.127 °C at 760 mmHg
• PKA: 1.61±0.10(Predicted)
• Flash Point: 100.235 °C
• PSA: 67.43000
• Density: 1.199 g/cm³
• LogP: 1.62820
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• 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:

99% ^*data from raw suppliers

Ethyl 2-methylthiazole-5-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CN=C(S1)C

Technology Process of Ethyl 2-methylthiazole-5-carboxylate

There total 1 articles about Ethyl 2-methylthiazole-5-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: 58.0%

thioacetamide (62-55-5) + ethyl 5-oxo-2-phenyl-2,5-dihydroisoxazole-4-carboxaldehyde (4504-12-5) → 3-Phenyl-2-[2-thioxo-prop-(Z)-ylidene]-2,3-dihydro-thiazole-5-carboxylic acid ethyl ester + ethyl 2-methylthiazole-5-carboxylate (79836-78-5)

Guidance literature:

With trifluoroacetic acid; In acetonitrile; for 3h; Irradiation;

DOI:10.1071/CH03252

Reference yield: 19.0%

ethyl 2-methylthiazole-5-carboxylate (79836-78-5) + 5-methyl-3-phenylisoxazole-4-carboxaldehyde (87967-95-1) → 2-[(E)-2-(5-methyl-3-phenyl-isoxazol-4-yl)-vinyl]-thiazole-5-carboxylic acid ethyl ester (1254970-03-0)

Guidance literature:

With acetic anhydride; acetic acid; at 120 ℃; for 144h;

Reference yield:

ethyl 2-methylthiazole-5-carboxylate (79836-78-5) → benzyl (2S)-3-methoxy-2-[(2S)-3-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)formamido]propanamido]propanoate (1148157-33-8)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide; water / tetrahydrofuran / 2.16 h / 0 - 20 °C

2: benzotriazol-1-ol; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 0 °C / pH 8.5

With water; benzotriazol-1-ol; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; sodium hydroxide; In tetrahydrofuran;

upstream raw materials:

thioacetamide

ethyl 5-oxo-2-phenyl-2,5-dihydroisoxazole-4-carboxaldehyde

Downstream raw materials:

2-methyl-1,3-thiazole-5-carboxylic acid

2-methyl-thiazole-5-carboxylic acid amide

2-methyl-thiazole-4-carboxylic acid hydrazide

5-(hydroxymethyl)-2-methylthiazole