methyl 1,5-dimethyl-1H-pyrazole-3-carboxylate

Base Information

• Chemical Name: methyl 1,5-dimethyl-1H-pyrazole-3-carboxylate
• CAS No.: 10250-61-0
• Molecular Formula: C₇H₁₀N₂O₂
• Molecular Weight: 154.169
• Hs Code.: 2933199090
• European Community (EC) Number: 682-943-3
• DSSTox Substance ID: DTXSID80373082
• Wikidata: Q82161230
• Mol file: 10250-61-0.mol

Synonyms:methyl 1,5-dimethyl-1H-pyrazole-3-carboxylate;10250-61-0;methyl 1,5-dimethylpyrazole-3-carboxylate;SCHEMBL2246566;DTXSID80373082;AMY32897;MFCD06661312;STK351777;AKOS003386277;TS-02055;CS-0127591;FT-0679423;M2863;EN300-138778;W18238;A896792;1,5-Dimethylpyrazole-3-carboxylic Acid Methyl Ester;1,5-Dimethyl-1H-pyrazole-3-carboxylic acid methyl ester;F2169-1178;1H-Pyrazole-3-carboxylic acid, 1,5-dimethyl-, methyl ester;2-CHLORO-N-(2,2,6,6-TETRAMETHYLPIPERIDIN-4-YL)ACETAMIDEHYDROCHLORIDE

Chemical Property of methyl 1,5-dimethyl-1H-pyrazole-3-carboxylate

Chemical Property:

• Vapor Pressure: 0.0347mmHg at 25°C
• Melting Point: 73 °C
• Refractive Index: 1.526
• Boiling Point: 242°Cat760mmHg
• PKA: 0.40±0.10(Predicted)
• Flash Point: 100.2°C
• PSA: 44.12000
• Density: 1.15g/cm³
• LogP: 0.51510
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 154.074227566
• Heavy Atom Count: 11
• Complexity: 161

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl 1,5-dimethyl-1H-pyrazole-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NN1C)C(=O)OC
• Uses: Methyl 1,5-Dimethyl-1H-pyrazole-3-carboxylate is used to study proton magnetic resonance of pyrazoles.

Technology Process of methyl 1,5-dimethyl-1H-pyrazole-3-carboxylate

There total 5 articles about methyl 1,5-dimethyl-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:

ethyl 5-methyl-1H-pyrazole-3-carboxylate (4027-57-0) + methyl iodide (74-88-4) → 1,5-dimethyl-1H-pyrazole-3-carboxylic acid methyl ester (10250-61-0) + 1,3-dimethyl-1H-pyrazole-5-carboxylic acid methyl ester (10250-59-6)

Guidance literature:

With methanol; sodium methylate;

Reference yield:

→ 1,5-dimethyl-1H-pyrazole-3-carboxylic acid methyl ester (10250-61-0) + 1,3-dimethyl-1H-pyrazole-5-carboxylic acid methyl ester (10250-59-6)

Guidance literature:

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + 5-methyl-2H-pyrazole-3-carboxylic acid methyl ester (25016-17-5) → 1,5-dimethyl-1H-pyrazole-3-carboxylic acid methyl ester (10250-61-0)

Guidance literature:

With diethyl ether;

upstream raw materials:

diazomethane

5-methyl-2H-pyrazole-3-carboxylic acid methyl ester

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

methyl iodide

Downstream raw materials:

1,5-dimethyl-1H-pyrazole-3-carboxylic acid

Refernces