ethyl 3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate

Base Information

• Chemical Name: ethyl 3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate
• CAS No.: 133261-11-7
• Molecular Formula: C₁₀H₁₄N₂O₂
• Molecular Weight: 194.233
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID40568715
• Wikidata: Q82455046
• Mol file: 133261-11-7.mol

Synonyms:ethyl 3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate;133261-11-7;ethyl 5-cyclopropyl-2-methylpyrazole-3-carboxylate;ethyl3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate;1H-Pyrazole-5-carboxylic acid, 3-cyclopropyl-1-methyl-, ethyl ester;SCHEMBL2363430;DTXSID40568715;ZXQYGJAMALKFFF-UHFFFAOYSA-N;MFCD15072123;AKOS015840795;DS-16986;CS-0144060;ethyl-3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate

Chemical Property of ethyl 3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate

Chemical Property:

• Boiling Point: 315.0±30.0 °C(Predicted)
• PKA: 0.97±0.10(Predicted)
• PSA: 44.12000
• Density: 1.26±0.1 g/cm3(Predicted)
• LogP: 1.47420
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 194.105527694
• Heavy Atom Count: 14
• Complexity: 228

Purity/Quality:

97% ^*data from raw suppliers

Ethyl3-Cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC(=NN1C)C2CC2

Technology Process of ethyl 3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate

There total 3 articles about ethyl 3-cyclopropyl-1-methyl-1H-pyrazole-5-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: 87.0%

ethyl 4-cyclopropyl-2,4-dioxobutanoate (21080-80-8) + methylhydrazine (60-34-4) → ethyl 3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate (133261-11-7) + ethyl 5-cyclopropyl-1-methyl-1H-pyrazole-3-carboxylate (1223748-44-4)

Guidance literature:

In 2,2,2-trifluoroethanol; for 1h; regioselective reaction;

DOI:10.1021/op500114v

Reference yield: 25.0%

ethyl 4-cyclopropyl-2,4-dioxobutanoate (21080-80-8) + methylhydrazine (60-34-4) → ethyl 3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate (133261-11-7)

Guidance literature:

In ethanol; water; at 0 - 20 ℃; for 3h;

DOI:10.1021/jm500261q

Reference yield:

Cyclopropyl methyl ketone (765-43-5) → ethyl 3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate (133261-11-7)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium / ethanol / 3 h / 0 - 20 °C

2: water; ethanol / 3 h / 0 - 20 °C

With sodium; In ethanol; water;

DOI:10.1021/jm500261q

upstream raw materials:

ethyl 4-cyclopropyl-2,4-dioxobutanoate

methylhydrazine

Cyclopropyl methyl ketone

Downstream raw materials:

(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)methanol

C₈H₉ClN₂O

3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylic acid

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