Ethyl 1-Ethylpyrazole-4-carboxylate

Base Information

• Chemical Name: Ethyl 1-Ethylpyrazole-4-carboxylate
• CAS No.: 447401-91-4
• Molecular Formula: C8H12N2O2
• Molecular Weight: 168.19300
• Hs Code.: 2933199090
• Mol file: 447401-91-4.mol

Synonyms:1-ethyl-1H-pyrazole-4-carboxylic acid ethyl ester;ethyl 1-ethyl-1H-pyrazol-4-carboxylate;ethyl 1-cytosinepentanoate;

Chemical Property of Ethyl 1-Ethylpyrazole-4-carboxylate

Chemical Property:

• Boiling Point: 253.9±13.0 °C(Predicted)
• PKA: 0.13±0.10(Predicted)
• PSA: 44.12000
• Density: 1.11±0.1 g/cm3(Predicted)
• LogP: 1.07970
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), DMSO (Slightly)

Purity/Quality:

97% ^*data from raw suppliers

Ethyl1-Ethylpyrazole-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Ethyl 1-Ethylpyrazole-4-carboxylate is used as a reactant in the preparation of N-heteroaryl benzenesulfonamides as CCR9 inhibitors.

Technology Process of Ethyl 1-Ethylpyrazole-4-carboxylate

There total 1 articles about Ethyl 1-Ethylpyrazole-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: 90.0%

4-ethoxycarbonylpyrazole (37622-90-5) + ethyl iodide (75-03-6) → 1-ethyl-1H-pyrazole-4-carboxylic acid ethyl ester (447401-91-4)

Guidance literature:

4-ethoxycarbonylpyrazole; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; for 0.25h; Cooling with ice;

ethyl iodide; In N,N-dimethyl-formamide; mineral oil; at 20 ℃; for 1h; Cooling with ice;

Reference yield: 80.0%

1-ethyl-1H-pyrazole-4-carboxylic acid ethyl ester (447401-91-4) → 1-ethyl-1H-pyrazole-4-carboxylic acid (400858-54-0)

Guidance literature:

1-ethyl-1H-pyrazole-4-carboxylic acid ethyl ester; With sodium hydroxide; In methanol; for 2h; Reflux;

With hydrogenchloride; In methanol; water; pH=Ca.2;

Reference yield:

1-ethyl-1H-pyrazole-4-carboxylic acid ethyl ester (447401-91-4) → ethyl 1-ethyl-5-{2-[4-(trifluoromethyl)phenyl]ethenyl}-1H-pyrazole-4-carboxylate (1359029-13-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: n-butyllithium; diisopropylamine / hexane; tetrahydrofuran / 2 h / -78 °C / Inert atmosphere; Cooling with ice

1.2: 20 °C

2.1: n-butyllithium / hexane; tetrahydrofuran / 0.25 h / -78 °C / Inert atmosphere

2.2: 1 h / -78 °C

With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane;

upstream raw materials:

4-ethoxycarbonylpyrazole

ethyl iodide

Downstream raw materials:

ethyl 1-ethyl-5-{2-[4-(trifluoromethyl)phenyl]ethenyl}-1H-pyrazole-4-carboxylate

ethyl 1-ethyl-5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazole-4-carboxylate

1-ethyl-1H-pyrazole-4-carboxylic acid

(1-ethyl-1H-pyrazole-4-yl)methanol

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