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

Base Information

• Chemical Name: methyl 5-hydroxy-1H-pyrazole-3-carboxylate
• CAS No.: 86625-25-4
• Molecular Formula: C5H6N2O3
• Molecular Weight: 142.114
• Hs Code.: 2933199090
• European Community (EC) Number: 800-509-5
• DSSTox Substance ID: DTXSID801006954
• Wikidata: Q83002808
• Mol file: 86625-25-4.mol

Synonyms:1018446-60-0;methyl 5-hydroxy-1H-pyrazole-3-carboxylate;Methyl 5-Hydroxy-pyrazole-3-carboxylate;86625-25-4;METHYL 3-HYDROXY-1H-PYRAZOLE-5-CARBOXYLATE;Methyl 5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate;methyl 5-oxo-1,2-dihydropyrazole-3-carboxylate;5-hydroxy-2h-pyrazole-3-carboxylic acid methyl ester;5-Hydroxy-1H-pyrazole-3-carboxylic acid methyl ester;Methyl5-Hydroxy-pyrazole-3-carboxylate;SCHEMBL285996;SCHEMBL10346398;JTJZOTYGFHOHMK-UHFFFAOYSA-N;DTXSID801006954;AMY26877;MFCD02322388;MFCD09878841;AKOS003619636;AKOS006277465;AKOS015851359;methyl 3-hydroxypyrazole-5-carboxylate;CS-W000696;AM806428;DS-17036;FT-0727380;F30450;A897039;J-522486;Methyl5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate;Q-102375;Z2238508536;1H-Pyrazole-3-carboxylic acid, 5-hydroxy-, methyl ester;1H-Pyrazole-3-carboxylicacid,2,5-dihydro-5-oxo-,methyl ester

Chemical Property of methyl 5-hydroxy-1H-pyrazole-3-carboxylate

Chemical Property:

• Refractive Index: 1.499
• PKA: 7.70±0.70(Predicted)
• PSA: 75.21000
• Density: 1.338 g/cm³
• LogP: -0.09810
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 142.03784206
• Heavy Atom Count: 10
• Complexity: 209

Purity/Quality:

97% ^*data from raw suppliers

Methyl5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylate ≥97.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=O)NN1

Technology Process of methyl 5-hydroxy-1H-pyrazole-3-carboxylate

There total 8 articles about methyl 5-hydroxy-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: 80.0%

dimethyl acetylenedicarboxylate (762-42-5) → methyl 3-hydroxy-1H-pyrazole-5-carboxylate (86625-25-4,1018446-60-0)

Guidance literature:

With hydrazine hydrate; acetic acid; In toluene; at 20 ℃; for 2h;

DOI:10.1016/j.bmc.2011.12.008

Reference yield: 75.0%

dimethyl acetylenedicarboxylate (762-42-5) → methyl 5-hydroxy-1H-pyrazole-3-carboxylate (1018446-60-0,86625-25-4)

Guidance literature:

With hydrazine hydrate; acetic acid; In toluene; at 20 ℃; for 3h;

Reference yield: 70.0%

acetic acid (64-19-7,77671-22-8) + dimethyl acetylenedicarboxylate (762-42-5) → methyl 5-hydroxy-1H-pyrazole-3-carboxylate (1018446-60-0,86625-25-4)

Guidance literature:

With hydrazine; In toluene; at 0 - 25 ℃; Inert atmosphere;

upstream raw materials:

Dimethyl 2-oxosuccinate

dimethyl acetylenedicarboxylate

methanol

acetic acid

Downstream raw materials:

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

5-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-2H-pyrazole-3-carboxylic acid methyl ester

5-[5-((1S,2R)-1,2-dihydroxy-2-phenyl-ethyl)-3-(4-fluoro-phenyl)-isoxazol-4-ylmethoxy]-2-methyl-2H-pyrazole-3-carboxylic acid methyl ester

5-[3-butyl-5-(1,2-dihydroxy-2-phenyl-ethyl)-isoxazol-4-ylmethoxy]-2-methyl-2H-pyrazole-3-carboxylic acid methyl ester