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

Base Information

• Chemical Name: 2-Ethyl-4-methyl-1,3-thiazole-5-carboxylic acid
• CAS No.: 113366-46-4
• Molecular Formula: C₇H₉NO₂S
• Molecular Weight: 171.22
• Hs Code.: 2934100090
• European Community (EC) Number: 831-799-1
• DSSTox Substance ID: DTXSID40550756
• Wikidata: Q82430188
• Mol file: 113366-46-4.mol

Synonyms:113366-46-4;2-ethyl-4-methyl-1,3-thiazole-5-carboxylic acid;2-Ethyl-4-methylthiazole-5-carboxylic acid;2-ethyl-4-methyl-5-thiazolecarboxylic acid;SCHEMBL9642790;DTXSID40550756;RIJXYOPYBANALA-UHFFFAOYSA-N;MFCD08458316;AKOS009328336;2-ethyl-4methylthiazole-5carboxylic acid;NCGC00327876-01;BS-36856;2-ethyl-4-methyl thiazole-5-carboxylic acid;2-Ethyl-4-methyl-thiazole-5-carboxylic acid;CS-0252547;EN300-60756;AB01323600-02;A827765;Z384974802;2-Ethyl-4-methyl-1,3-thiazole-5-carboxylic acid, AldrichCPR;2-ethyl-4-methyl-thiazole-5-carboxylic acid;2-Ethyl-4-methylthiazole-5-carbohydrazide

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

Chemical Property:

• Vapor Pressure: 0.000211mmHg at 25°C
• Refractive Index: 1.572
• Boiling Point: 313.5°C at 760 mmHg
• PKA: 1.42±0.37(Predicted)
• Flash Point: 143.4°C
• PSA: 78.43000
• Density: 1.28g/cm³
• LogP: 1.71210
• 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:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=NC(=C(S1)C(=O)O)C

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

There total 1 articles about 2-Ethyl-4-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:

2,4-dimethyl-thiazole-5-carboxylic acid (53137-27-2) + methyl iodide (74-88-4) → 2-ethyl-4-methyl-1,3-thiazole-5-carboxylic acid (113366-46-4)

Guidance literature:

With lithium diisopropyl amide; further alkyl-, alkenyl halides and enolisable aldehydes and ketones;

DOI:10.1016/S0040-4039(00)95542-4

Reference yield:

2-ethyl-4-methyl-1,3-thiazole-5-carboxylic acid (113366-46-4) → 2-ethyl-4-methylthiazole-5-carboxylic acid chloride (126889-04-1)

Guidance literature:

In toluene;

Reference yield:

2-ethyl-4-methyl-1,3-thiazole-5-carboxylic acid (113366-46-4) + methyl iodide (74-88-4) → 4-methyl-2-(propan-2-yl)-1,3-thiazole-5-carboxylic acid (137267-29-9)

Guidance literature:

With n-butyllithium; Yield given. Multistep reaction; 1.) THF, -78 deg C, 0.5 h, 2.) -78 deg C, 0.5 h;

upstream raw materials:

2,4-dimethyl-thiazole-5-carboxylic acid

methyl iodide

Downstream raw materials:

4-methyl-2-(propan-2-yl)-1,3-thiazole-5-carboxylic acid

2-ethyl-5-hydroxymethyl-4-methylthiazole

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