1,3-Dimethylpyrazole-5-carboxylic acid

Base Information

• Chemical Name: 1,3-Dimethylpyrazole-5-carboxylic acid
• CAS No.: 5744-56-9
• Molecular Formula: C6H8N2O2
• Molecular Weight: 140.142
• Hs Code.: 29331990
• Mol file: 5744-56-9.mol

Synonyms:1,3-Dimethyl-5-carboxypyrazole;1,3-Dimethylpyrazole-5-carboxylic acid;2,5-Dimethyl-2H-pyrazole-3-carboxylic acid;1,3-Dimethyl-1H-pyrazole-5-carboxylic acid;Pyrazole-5-carboxylicacid, 1,3-dimethyl- (6CI,7CI,8CI);1,3-dimethyl-1H-pyrazole-5-carboxylic acid;1H-Pyrazole-5-carboxylic acid, 1,3-dimethyl-;

Chemical Property of 1,3-Dimethylpyrazole-5-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.000438mmHg at 25°C
• Melting Point: 209-211 °C
• Refractive Index: 1.575
• Boiling Point: 302.4 °C at 760 mmHg
• PKA: 3.11±0.25(Predicted)
• Flash Point: 136.7 °C
• PSA: 55.12000
• Density: 1.28 g/cm³
• LogP: 0.42670
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly, Heated), Methanol (Slightly)

Purity/Quality:

99%, ^*data from raw suppliers

1,3-Dimethyl-1H-pyrazole-5-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39-22-24/25

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1,3-Dimethylpyrazole-5-carboxylic acid

There total 10 articles about 1,3-Dimethylpyrazole-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: 81.0%

1,3-dimethyl-1H-pyrazole-5-carboxylic acid methyl ester (10250-59-6) → 1,3-dimethylpyrazol-5-carboxylic acid (5744-56-9)

Guidance literature:

1,3-dimethyl-1H-pyrazole-5-carboxylic acid methyl ester; With sodium hydroxide; water; at 0 - 20 ℃; for 18h;

With hydrogenchloride; In water; at 0 - 20 ℃; for 25h; Product distribution / selectivity;

Reference yield: 68.4%

ethyl 1,3-dimethylpyrazole-5-carboxylate (5744-40-1) → 1,3-dimethylpyrazol-5-carboxylic acid (5744-56-9)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; water; at 70 ℃; for 2h;

DOI:10.1039/c8nj05150j

Reference yield:

ethyl 2,4-diketopentanoate (615-79-2) → 1,3-dimethylpyrazol-5-carboxylic acid (5744-56-9)

Guidance literature:

Multi-step reaction with 3 steps

1: N₂H₄ / H₂O

3: NaOH / H₂O

With sodium hydroxide; hydrazine; In water;

DOI:10.1016/0960-894X(96)00323-X

upstream raw materials:

1,3-dimethyl-1H-pyrazole

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

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

methyl p-toluene sulfonate

Downstream raw materials:

1-Methyl-1H-pyrazole-3,5-dicarboxylic acid

1,3-dimethyl-1H-pyrazole-5-carbonyl chloride

1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylic acid

1,3-Dimethyl-4-aminopyrazole-5-carboxamide

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