Ethyl 5-formyl-1H-pyrazole-3-carboxylate

Base Information

• Chemical Name: Ethyl 5-formyl-1H-pyrazole-3-carboxylate
• CAS No.: 93290-12-1
• Molecular Formula: C7H8N2O3
• Molecular Weight: 168.152
• Hs Code.: 2933199090
• European Community (EC) Number: 851-727-2
• DSSTox Substance ID: DTXSID60393480
• Nikkaji Number: J2.398.750C
• Wikidata: Q82192265
• Mol file: 93290-12-1.mol

Synonyms:93290-12-1;Ethyl 5-formyl-1H-pyrazole-3-carboxylate;Ethyl 5-Formylpyrazole-3-carboxylate;Ethyl 3-formyl-1H-pyrazole-5-carboxylate;56563-30-5;1H-Pyrazole-3-carboxylic acid, 5-formyl-, ethyl ester;5-formyl-1H-pyrazole-3-carboxylic acid ethyl ester;MFCD16620106;SCHEMBL5599267;SCHEMBL14097075;DTXSID60393480;DURUTRWXAPRQHM-UHFFFAOYSA-N;AMY17370;AKOS006238803;AKOS016013842;AB16859;Ethyl3-formyl-1H-pyrazole-5-carboxylate;AS-32669;SY018583;CS-0055100;FT-0759430;EN300-55217;5-formylpyrazole-3-carboxylic acid ethyl ester;A859836;5-Formyl-2H-pyrazole-3-carboxylic acid ethyl ester;J-520877;Z825863534

Chemical Property of Ethyl 5-formyl-1H-pyrazole-3-carboxylate

Chemical Property:

• PSA: 72.05000
• LogP: 0.39890
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 168.05349212
• Heavy Atom Count: 12
• Complexity: 184

Purity/Quality:

97% ^*data from raw suppliers

Ethyl5-formyl-1H-pyrazole-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=NNC(=C1)C=O

Technology Process of Ethyl 5-formyl-1H-pyrazole-3-carboxylate

There total 5 articles about Ethyl 5-formyl-1H-pyrazole-3-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: 82.0%

diazoacetic acid ethyl ester (623-73-4) + Propargylic aldehyde (624-67-9) → ethyl 3(5)-formylpyrazole-5(3)-carboxylate (93290-12-1)

Guidance literature:

With NaY zeolite; In dichloromethane; at 20 ℃; for 12h;

DOI:10.1246/cl.2007.60

Reference yield:

5-dimethoxymethyl-1H-pyrazole-3-carboxylic acid ethyl ester (840504-43-0) → ethyl 3(5)-formylpyrazole-5(3)-carboxylate (93290-12-1)

Guidance literature:

With formic acid; for 1h;

DOI:10.1007/s11172-006-0093-6

Reference yield:

diazoacetic acid ethyl ester (623-73-4) + sulfuric acid (7664-93-9) + propargyl alcohol (107-19-7) + butanone (78-93-3) → ethyl 3(5)-formylpyrazole-5(3)-carboxylate (93290-12-1)

Guidance literature:

With CrO₃; In water; toluene;

upstream raw materials:

diazoacetic acid ethyl ester

Propargylic aldehyde

5-dimethoxymethyl-1H-pyrazole-3-carboxylic acid ethyl ester

propynoic acid ethyl ester

Downstream raw materials:

3,5-pyrazoledicarboxylic acid

3-formyl-1H-pyrazole-5-carboxylic acid