Methyl 1-Ethyl-1H-pyrazole-5-carboxylate

Base Information

• Chemical Name: Methyl 1-Ethyl-1H-pyrazole-5-carboxylate
• CAS No.: 119458-46-7
• Molecular Formula: C7H10 N2 O2
• Molecular Weight: 154.169
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID00555707
• Wikidata: Q82437114
• Mol file: 119458-46-7.mol

Synonyms:Methyl 1-Ethyl-1H-pyrazole-5-carboxylate;119458-46-7;methyl 2-ethylpyrazole-3-carboxylate;1H-Pyrazole-5-carboxylicacid,1-ethyl-,methylester(9CI);SCHEMBL24937400;2-ethyl-3-methoxycarbonylpyrazole;DTXSID00555707;AKOS005169455;Methyl1-Ethyl-1H-pyrazole-5-carboxylate;BS-26637;CS-0208196;EN300-232529

Chemical Property of Methyl 1-Ethyl-1H-pyrazole-5-carboxylate

Chemical Property:

• Boiling Point: 236.7±13.0 °C(Predicted)
• PKA: 0.49±0.10(Predicted)
• PSA: 44.12000
• Density: 1.14±0.1 g/cm3(Predicted)
• LogP: 0.68960
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 154.074227566
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

Methyl1-Ethyl-1H-pyrazole-5-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C(=CC=N1)C(=O)OC

Technology Process of Methyl 1-Ethyl-1H-pyrazole-5-carboxylate

There total 2 articles about Methyl 1-Ethyl-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: 36.0%

methyl 1H-pyrazole 3-carboxylate (15366-34-4) + N,N-dimethylformamide diethyl diacetal (1188-33-6) → 2-ethyl-3-methoxycarbonylpyrazole (119458-46-7) + N-1-ethyl-3-methoxycarbonylpyrazole (89943-27-1)

Guidance literature:

at 140 ℃; for 2h;

DOI:10.1007/BF00633169

Reference yield: 23.0%

methyl 1H-pyrazole 3-carboxylate (15366-34-4) + orthoformic acid triethyl ester (122-51-0) → 2-ethyl-3-methoxycarbonylpyrazole (119458-46-7) + N-1-ethyl-3-methoxycarbonylpyrazole (89943-27-1)

Guidance literature:

With toluene-4-sulfonic acid; at 140 - 150 ℃; for 5h;

DOI:10.1007/BF00633169

upstream raw materials:

methyl 1H-pyrazole 3-carboxylate

orthoformic acid triethyl ester

N,N-dimethylformamide diethyl diacetal