Methyl 3-ethyl-1H-pyrazole-5-carboxylate

Base Information

• Chemical Name: Methyl 3-ethyl-1H-pyrazole-5-carboxylate
• CAS No.: 834869-10-2
• Molecular Formula: C₇H₁₀N₂O₂
• Molecular Weight: 154.169
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID80656024
• Wikidata: Q82570469
• Mol file: 834869-10-2.mol

Synonyms:834869-10-2;3-Ethyl-5-pyrazolcarboxylic acid methyl ester;METHYL 3-ETHYL-1H-PYRAZOLE-5-CARBOXYLATE;METHYL 5-ETHYL-1H-PYRAZOLE-3-CARBOXYLATE;MFCD08236689;Methyl 3-Ethylpyrazole-5-carboxylate;SCHEMBL4191221;DTXSID80656024;AKOS015852365;CS-W003482;FS-2847;SY019650;FT-0647889;METHYL3-ETHYL-1H-PYRAZOLE-5-CARBOXYLATE;A864258;J-512428

Chemical Property of Methyl 3-ethyl-1H-pyrazole-5-carboxylate

Chemical Property:

• Vapor Pressure: 0.000678mmHg at 25°C
• Refractive Index: 1.521
• Boiling Point: 308.5°C at 760 mmHg
• Flash Point: 140.4°C
• PSA: 54.98000
• Density: 1.17g/cm³
• LogP: 0.75870
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• 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

3-Ethyl-5-pyrazolcarboxylicacidmethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=NN1)C(=O)OC

Technology Process of Methyl 3-ethyl-1H-pyrazole-5-carboxylate

There total 2 articles about Methyl 3-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:

methyl 2,4-dioxohexanoate (20577-62-2) → 3-ethyl-5-pyrazolecarboxylic acid methyl ester (834869-10-2)

Guidance literature:

With hydrazine hydrate; In dichloromethane;

DOI:10.1021/acs.jafc.6b04221

Reference yield:

→ 3-ethyl-5-pyrazolecarboxylic acid methyl ester (834869-10-2)

Guidance literature:

Reference yield:

3-ethyl-5-pyrazolecarboxylic acid methyl ester (834869-10-2) → 1-methyl-3-ethyl-4-chloro-5-pyrazolecarboxylic acid methyl ester (128537-31-5)

Guidance literature:

Multi-step reaction with 2 steps

1: dichloromethane

2: N-chloro-succinimide / N,N-dimethyl-formamide

With N-chloro-succinimide; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/acs.jafc.6b04221

upstream raw materials:

methyl 2,4-dioxohexanoate

Downstream raw materials:

1-methyl-3-ethyl-4-chloro-5-pyrazolecarboxylic acid methyl ester