Ethyl 1-methyl-5-propyl-1H-pyrazole-3-carboxylate

Base Information

• Chemical Name: Ethyl 1-methyl-5-propyl-1H-pyrazole-3-carboxylate
• CAS No.: 247583-69-3
• Molecular Formula: C₁₀H₁₆N₂O₂
• Molecular Weight: 196.249
• Hs Code.: 29331990
• European Community (EC) Number: 607-431-9
• DSSTox Substance ID: DTXSID90473108
• Wikidata: Q82302278
• Mol file: 247583-69-3.mol

Synonyms:ETHYL 1-METHYL-5-PROPYL-1H-PYRAZOLE-3-CARBOXYLATE;247583-69-3;ethyl 1-methyl-5-propylpyrazole-3-carboxylate;1H-Pyrazole-3-carboxylicacid,1-methyl-5-propyl-,ethylester(9CI);1H-PYRAZOLE-3-CARBOXYLIC ACID, 1-METHYL-5-PROPYL-, ETHYL ESTER;ethyl 1-methyl-5-n-propyl-pyrazole-3-carboxylate;SCHEMBL6778177;(IS)-(-)-Camphorsulfonylimine;DTXSID90473108;RUCHDNJKZWSJHB-UHFFFAOYSA-N;MFCD04115092;AKOS006294907;AB19593;BL001005;PS-11392;CS-0313241;FT-0687894;W-206908

Chemical Property of Ethyl 1-methyl-5-propyl-1H-pyrazole-3-carboxylate

Chemical Property:

• Vapor Pressure: 0.00101mmHg at 25°C
• Refractive Index: 1.514
• Boiling Point: 302°C at 760 mmHg
• PKA: 0.54±0.10(Predicted)
• Flash Point: 136.5°C
• PSA: 44.12000
• Density: 1.07g/cm³
• LogP: 1.54930
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 196.121177757
• Heavy Atom Count: 14
• Complexity: 197

Purity/Quality:

98%min ^*data from raw suppliers

ethyl1-methyl-5-propyl-1H-pyrazole-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 3/9-24/25-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC(=NN1C)C(=O)OCC

Technology Process of Ethyl 1-methyl-5-propyl-1H-pyrazole-3-carboxylate

There total 4 articles about Ethyl 1-methyl-5-propyl-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:

oxalic acid diethyl ester (95-92-1) + methylhydrazine (60-34-4) → 2-Methyl-3-n-propyl-pyrazole-5-carboxylic Acid Ethyl Ester (247583-69-3) + 1-Methyl-3-n-propylpyrazole-5-carboxylic acid ethyl ester (133261-07-1)

Guidance literature:

With sodium; acetic acid; In ethanol; hexane; 2-Pentanone; ethyl acetate;

Reference yield:

→ 2-Methyl-3-n-propyl-pyrazole-5-carboxylic Acid Ethyl Ester (247583-69-3) + 1-Methyl-3-n-propylpyrazole-5-carboxylic acid ethyl ester (133261-07-1)

Guidance literature:

Reference yield:

1-Methyl-3-n-propylpyrazole-5-carboxylic acid ethyl ester (133261-07-1) → 2-Methyl-3-n-propyl-pyrazole-5-carboxylic Acid Ethyl Ester (247583-69-3)

Guidance literature:

upstream raw materials:

1-Methyl-3-n-propylpyrazole-5-carboxylic acid ethyl ester

oxalic acid diethyl ester

methylhydrazine

Downstream raw materials:

1-Methyl-3-n-propylpyrazole-5-carboxylic acid ethyl ester