methyl 1-methyl-1H-pyrazole-5-carboxylate

Base Information

• Chemical Name: methyl 1-methyl-1H-pyrazole-5-carboxylate
• CAS No.: 17827-60-0
• Molecular Formula: C6H8N2O2
• Molecular Weight: 140.14
• Hs Code.: 2933199090
• European Community (EC) Number: 841-918-9
• DSSTox Substance ID: DTXSID20426884
• Nikkaji Number: J149.380I
• Wikidata: Q82239677
• Mol file: 17827-60-0.mol

Synonyms:methyl 1-methyl-1H-pyrazole-5-carboxylate;17827-60-0;METHYL 2-METHYLPYRAZOLE-3-CARBOXYLATE;1H-Pyrazole-5-carboxylic acid, 1-methyl-, methyl ester;2-Methyl-2H-pyrazole-3-carboxylic acid methyl ester;MFCD04967357;SCHEMBL5531898;DTXSID20426884;CECCPWAWRYFLOA-UHFFFAOYSA-N;1-methyl-5-methoxycarbonyl pyrazole;BBL038725;STK312463;AKOS000305769;DS-1315;SB21913;AC-30768;AM803374;methyl1-methyl-1H-pyrazole-5-carboxylate;SY041950;Methyl 1-Methyl-2H-pyrazole-5-carboxylate;CS-0037113;FT-0687732;EN300-132327;A846513;1-Methyl-1H-pyrazole-5-carboxylic acid methyl ester;J-509936;F6782-4227;Z902570836

Chemical Property of methyl 1-methyl-1H-pyrazole-5-carboxylate

Chemical Property:

• Boiling Point: 221.622 °C at 760 mmHg
• PKA: 0.47±0.10(Predicted)
• Flash Point: 87.834 °C
• PSA: 44.12000
• Density: 1.188 g/cm³
• LogP: 0.20670
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 140.058577502
• Heavy Atom Count: 10
• Complexity: 138

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=CC=N1)C(=O)OC

Technology Process of methyl 1-methyl-1H-pyrazole-5-carboxylate

There total 5 articles about methyl 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: 94.0%

1-methyl-1H-pyrazole-5-carboxylic acid (16034-46-1) + diazomethyl-trimethyl-silane (18107-18-1) → methyl 1-methyl-1H-pyrazole-5-carboxylate (17827-60-0)

Guidance literature:

In methanol; toluene; for 1h;

Reference yield: 90.0%

methanol (67-56-1) + 1-methyl-1H-pyrazole-5-carboxylic acid (16034-46-1) → methyl 1-methyl-1H-pyrazole-5-carboxylate (17827-60-0)

Guidance literature:

With thionyl chloride; at 0 - 20 ℃; for 12h; Inert atmosphere;

Reference yield: 68.0%

methanol (67-56-1) + 5-methyl-2H-pyrazole-3-carboxylic acid (696-22-0) → methyl 1-methyl-1H-pyrazole-5-carboxylate (17827-60-0)

Guidance literature:

With sulfuric acid; In methanol; for 20h; Reflux;

upstream raw materials:

methanol

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

diazomethane

1-2H-pyrazole-3-carboxylic acid

Downstream raw materials:

2-methyl-2H-pyrazole-3-carboxylic acid amide

4-iodo-2-methyl-2H-pyrazole-3-carboxylic acid methyl ester

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