4-Methyl-1,3-thiazole-2-carboxylic acid

Base Information

• Chemical Name: 4-Methyl-1,3-thiazole-2-carboxylic acid
• CAS No.: 14542-16-6
• Molecular Formula: C5H5NO2S
• Molecular Weight: 143.166
• Hs Code.: 29341000
• Mol file: 14542-16-6.mol

Synonyms:4-methyl-1,3-thiazole-2-carboxylic acid;2-thiazolecarboxylic acid, 4-methyl-;

Chemical Property of 4-Methyl-1,3-thiazole-2-carboxylic acid

Chemical Property:

• Melting Point: 99 °C
• Boiling Point: 317.135 °C at 760 mmHg
• PKA: 0.55±0.10(Predicted)
• Flash Point: 145.598 °C
• PSA: 78.43000
• Density: 1.418 g/cm³
• LogP: 1.14970
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C

Purity/Quality:

99% ^*data from raw suppliers

4-methyl-1,3-thiazole-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

Technology Process of 4-Methyl-1,3-thiazole-2-carboxylic acid

There total 7 articles about 4-Methyl-1,3-thiazole-2-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: 52.0%

4-Methylthiazol-2-carbonsaeure-ethylester (7210-73-3) → 4-methyl-1,3-thiazole-2-carboxylic acid (14542-16-6)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; methanol; water; at 20 ℃; for 1h;

DOI:10.1016/j.bmcl.2015.11.012

Reference yield:

4-Methylthiazole (693-95-8) + carbon dioxide (124-38-9,18923-20-1) → 4-methyl-1,3-thiazole-2-carboxylic acid (14542-16-6)

Guidance literature:

4-Methylthiazole; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

carbon dioxide; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 2h;

DOI:10.1021/jm040883v

Reference yield:

2-(α-hydroxyethyl)-4-methylthiazole (7586-99-4) → 4-methyl-1,3-thiazole-2-carboxylic acid (14542-16-6)

Guidance literature:

With sodium hypoiodite;

DOI:10.1021/ja01521a042

upstream raw materials:

4-methyl-thiazole-2-carbaldehyde

2-(α-hydroxyethyl)-4-methylthiazole

4-Methylthiazol-2-carbonsaeure-ethylester

4-Methylthiazole

Downstream raw materials:

N-((1s,4s)-4-(2-(4'-(((3S,5R)-3,5-dimethylpiperazin-1-yl)methyl)-2'-(morpholinomethyl)biphenyl-3-yloxy)-5-fluoronicotinamido)cyclohexyl)-4-methylthiazole-2-carboxamide trifluoroacetic acid salt

C₃₉H₆₂N₄O₁₅S

C₅H₄ClNOS

Refernces

• 1、 Vu, Hoang Nam,Kim, Ji Young,Hassan, Ahmed H.E.,Choi, Kihang,Park, Jong-Hyun,Park, Ki Duk,Lee, Jae Kyun,Pae, Ae Nim,Choo, Hyunah,Min, Sun-Joon,Cho, Yong Seo. "Synthesis and biological evaluation of picolinamides and thiazole-2-carboxamides as mGluR5 (metabotropic glutamate receptor 5) antagonists". supporting information. p. 140 - 144. Retrieved 2015/12/18.
• 2、 Kaye, Perry T.,Meakins, G. Denis,Willbe, Charles,Williams, Peter R.. "An Infrared Study of Rotational Isomerism in Thiazole-2-carboxylates". . p. 2335 - 2339. Retrieved 2007/10/02.