1-Methyl-1H-pyrazole-5-carboxylic acid

Base Information

• Chemical Name: 1-Methyl-1H-pyrazole-5-carboxylic acid
• CAS No.: 16034-46-1
• Molecular Formula: C5H6N2O2
• Molecular Weight: 126.115
• Hs Code.: 29331990
• Mol file: 16034-46-1.mol

Synonyms:Pyrazole-5-carboxylicacid, 1-methyl- (6CI,8CI);1-Methyl-5-pyrazolecarboxylic acid;N-Methylpyrazole-3-carboxylic acid;

Chemical Property of 1-Methyl-1H-pyrazole-5-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.000326mmHg at 25°C
• Melting Point: 223.5-224.5 °C
• Refractive Index: 1.59
• Boiling Point: 306.9 °C at 760 mmHg
• PKA: 3.03±0.25(Predicted)
• Flash Point: 139.4 °C
• PSA: 55.12000
• Density: 1.34 g/cm³
• LogP: 0.11830
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

1-Methyl-1H-pyrazole-5-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

Useful:

Technology Process of 1-Methyl-1H-pyrazole-5-carboxylic acid

There total 13 articles about 1-Methyl-1H-pyrazole-5-carboxylic acid 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: 88.0%

dicobalt octacarbonyl (15226-74-1,61091-28-9,61117-58-6) + 1-methyl-1H-pyrazol-5-yl 2,3,4,5,6-pentafluorobenzenesulfonate → 1-methyl-1H-pyrazole-5-carboxylic acid (16034-46-1)

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate; In 1,4-dioxane; water; at 20 ℃; for 16h; chemoselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1002/adsc.201600736

Reference yield: 86.0%

dicobalt octacarbonyl (15226-74-1,61091-28-9,61117-58-6) + 1-methyl-1H-pyrazol-5-yl trifluoromethanesulfonate → 1-methyl-1H-pyrazole-5-carboxylic acid (16034-46-1)

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate; In 1,4-dioxane; water; at 20 ℃; for 16h; chemoselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1002/adsc.201600736

Reference yield: 75.0%

1,5-dimethyl-1H-pyrazole (694-31-5) → 1-methyl-1H-pyrazole-5-carboxylic acid (16034-46-1)

Guidance literature:

With potassium permanganate;

upstream raw materials:

1-methyl-1H-pyrazole

n-butyllithium

diethyl ether

phenyllithium

Downstream raw materials:

1-methyl-1H-pyrazole

4-bromo-2-methyl-2H-pyrazole-3-carboxylic acid

2-methyl-2H-pyrazole-3-carbonyl chloride

1-methyl-4-nitro-1H-pyrazole-5-carboxylic acid

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