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

Base Information

• Chemical Name: 4-Ethyl-2-methyl-1,3-thiazole-5-carboxylic acid
• CAS No.: 119778-44-8
• Molecular Formula: C7H9NO2S
• Molecular Weight: 171.21700
• Hs Code.: 2934100090
• European Community (EC) Number: 692-821-1
• DSSTox Substance ID: DTXSID90562602
• Wikidata: Q82446841
• Mol file: 119778-44-8.mol

Synonyms:119778-44-8;4-ethyl-2-methyl-1,3-thiazole-5-carboxylic acid;4-Ethyl-2-methylthiazole-5-carboxylic acid;5-Thiazolecarboxylic acid, 4-ethyl-2-methyl-;MFCD12027007;4-Ethyl-2-methylthiazole-5-carboxylicacid;SCHEMBL9368491;DTXSID90562602;VANMGYYUWZXKPW-UHFFFAOYSA-N;AKOS005171513;DS-1241;FS-3215;2-methyl-4ethylthiazole-5carboxylic acid;2-methyl-4-ethylthiazole-5carboxylic acid;2-methyl-4-ethyl-5-thiazolecarboxylic acid;CS-0134691;EN300-186682;A892427

Chemical Property of 4-Ethyl-2-methyl-1,3-thiazole-5-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.000526mmHg at 25°C
• Boiling Point: 299.6oC at 760 mmHg
• Flash Point: 135oC
• PSA: 78.43000
• Density: 1.28g/cm3
• LogP: 1.71210
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 171.03539970
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

97% ^*data from raw suppliers

4-Ethyl-2-methyl-1,3-thiazole-5-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(SC(=N1)C)C(=O)O

Technology Process of 4-Ethyl-2-methyl-1,3-thiazole-5-carboxylic acid

There total 3 articles about 4-Ethyl-2-methyl-1,3-thiazole-5-carboxylic acid 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%

ethyl 4-ethyl-2-methylthiazole-5-carboxylate (137267-40-4) → 2-methyl-4-ethyl-thiazole-5-carboxylic acid (119778-44-8)

Guidance literature:

With potassium hydroxide; In ethanol; water; for 48h; Ambient temperature;

Reference yield:

ethyl 2-chloro-3-oxopentanoate (24045-73-6) → 2-methyl-4-ethyl-thiazole-5-carboxylic acid (119778-44-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / ethanol / 7 h / Heating

2: 58 percent / KOH / ethanol; H₂O / 48 h / Ambient temperature

With potassium hydroxide; In ethanol; water;

Reference yield:

ethyl propanoylacetate (4949-44-4) → 2-methyl-4-ethyl-thiazole-5-carboxylic acid (119778-44-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 59 percent / SO₂Cl₂ / 1.) 18 h, 2.) 3 h under water-pump vacuum

2: 92 percent / ethanol / 7 h / Heating

3: 58 percent / KOH / ethanol; H₂O / 48 h / Ambient temperature

With potassium hydroxide; sulfuryl dichloride; In ethanol; water;

upstream raw materials:

ethyl 4-ethyl-2-methylthiazole-5-carboxylate

ethyl 2-chloro-3-oxopentanoate

ethyl propanoylacetate

Downstream raw materials:

(4-ethyl-2-methyl-1,3-thiazol-5-yl)methanol

4-ethyl-2-methylthiazole-5-carboxylic acid chloride

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