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

Base Information

• Chemical Name: 1,5-Dimethyl-1H-pyrazole-3-carboxylic acid
• CAS No.: 5744-59-2
• Molecular Formula: C6H8 N2 O2
• Molecular Weight: 140.142
• Hs Code.: 2933199090
• European Community (EC) Number: 673-139-3
• DSSTox Substance ID: DTXSID40343145
• Wikidata: Q72471756
• Mol file: 5744-59-2.mol

Synonyms:1,5-Dimethyl-1H-pyrazole-3-carboxylic acid;5744-59-2;1,5-dimethylpyrazole-3-carboxylic acid;MFCD00085040;1H-Pyrazole-3-carboxylic acid, 1,5-dimethyl-;1,5-DIMETHYL-1H-PYRAZOLE-3-CARBOXYLICACID;1,5-DIMETHYL-1H-PYRAZOLE-3-CARBOXYLIC;SCHEMBL222289;DTXSID40343145;STK260849;AKOS000266514;AB03175;CS-W004978;DS-2716;PS-3235;1,5-Dimethyl-3-pyrazolecarboxylic acid;AM807073;SY004171;Pyrazole-3-carboxylic acid, 1,5-dimethyl-;BB 0253249;D5759;FT-0606968;EN300-51370;1,5-Dimethyl-1H-pyrazole-3-carboxylic acid #;A831443;1,5-Dimethyl-1H-pyrazole-3-carboxylic acid, 97%;J-504021;F2169-0647

Chemical Property of 1,5-Dimethyl-1H-pyrazole-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.000438mmHg at 25°C
• Melting Point: 170ºC
• Boiling Point: 302.4 ºC at 760 mmHg
• PKA: 4.12±0.10(Predicted)
• Flash Point: 136.7 ºC
• PSA: 55.12000
• Density: 1.28 g/cm³
• LogP: 0.42670
• Storage Temp.: 2-8°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 140.058577502
• Heavy Atom Count: 10
• Complexity: 149

Purity/Quality:

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

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

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NN1C)C(=O)O

Technology Process of 1,5-Dimethyl-1H-pyrazole-3-carboxylic acid

There total 8 articles about 1,5-Dimethyl-1H-pyrazole-3-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%

ethyl 1,5-dimethyl-1H-pyrazole-3-carboxylate (5744-51-4) → 1,5-dimethyl-1H-pyrazole-3-carboxylic acid (5744-59-2)

Guidance literature:

With lithium hydroxide monohydrate; In tetrahydrofuran; water; at 0 ℃; for 1h;

Reference yield: 75.4%

→ 1,5-dimethyl-1H-pyrazole-3-carboxylic acid (5744-59-2)

Guidance literature:

Reference yield:

ethyl 2,4-diketopentanoate (615-79-2) → 1,5-dimethyl-1H-pyrazole-3-carboxylic acid (5744-59-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 41 percent / ethanol / 0.5 h / Heating

2: NaOH / ethanol; H₂O / 1 h / Heating

With sodium hydroxide; In ethanol; water;

DOI:10.1071/CH9830135

upstream raw materials:

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

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

methylhydrazine

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

Downstream raw materials:

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