1,5-Dimethyl-1H-pyrazole-4-carboxylic acid

Base Information

• Chemical Name: 1,5-Dimethyl-1H-pyrazole-4-carboxylic acid
• CAS No.: 31728-75-3
• Molecular Formula: C6H8 N2 O2
• Molecular Weight: 140.142
• Hs Code.: 2933199090
• European Community (EC) Number: 803-645-3
• DSSTox Substance ID: DTXSID00361547
• Wikidata: Q82143905
• ChEMBL ID: CHEMBL2071016
• Mol file: 31728-75-3.mol

Synonyms:1,5-Dimethyl-1H-pyrazole-4-carboxylic acid;31728-75-3;1,5-dimethylpyrazole-4-carboxylic acid;MFCD02090876;CHEMBL2071016;1H-Pyrazole-4-carboxylic acid, 1,5-dimethyl-;SCHEMBL1663553;DTXSID00361547;AMY32781;BDBM50390932;STK301316;AKOS000304128;CS-W005926;RS-0360;SB21894;SY041939;BB 0219780;FT-0709214;EN300-25866;1,5-Dimethyl-1H-pyrazole-4-carboxylic acid, 97%;1,5-dimethyl-1H-pyrazole-4-carboxylic acid, AldrichCPR;F2169-1008;Z217709980

Chemical Property of 1,5-Dimethyl-1H-pyrazole-4-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.000542mmHg at 25°C
• Melting Point: 181-183°C
• Refractive Index: 1.575
• Boiling Point: 299.2°Cat760mmHg
• PKA: 3.51±0.25(Predicted)
• Flash Point: 134.7°C
• PSA: 55.12000
• Density: 1.28g/cm³
• LogP: 0.42670
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 0.2
• 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:

97% ^*data from raw suppliers

1,5-Dimethyl-1H-pyrazole-4-carboxylic acid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,5-Dimethyl-1H-pyrazole-4-carboxylic acid

There total 12 articles about 1,5-Dimethyl-1H-pyrazole-4-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: 92.0%

1,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester (85290-77-3) → 1,5-dimethylpyrazole-4-carboxylic acid (31728-75-3)

Guidance literature:

With sodium hydroxide; In ethanol; for 1h; Heating;

DOI:10.1071/CH9830135

Reference yield: 74.0%

1-(1,5-dimethyl-1H-pyrazol-4-yl)ethan-1-one (21686-05-5) → 1,5-dimethylpyrazole-4-carboxylic acid (31728-75-3)

Guidance literature:

With sodium hydroxide; bromine; In water; at 5 - 10 ℃; for 2h;

Reference yield: 62.6%

1,5-dimethyl-1H-pyrazole-4-carbaldehyde (25711-30-2) → 1,5-dimethylpyrazole-4-carboxylic acid (31728-75-3)

Guidance literature:

With potassium permanganate; In water; at 20 ℃;

DOI:10.1007/BF00949744

upstream raw materials:

4-bromo-1,5-dimethyl-1H-pyrazole

n-butyllithium

diethyl ether

1,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester

Downstream raw materials:

1-Methyl-4,5-pyrazol-dicarbonsaeure

1,5-dimethyl-4-nitro-1H-pyrazole

4-bromo-1,5-dimethyl-1H-pyrazole

3-iodo-1,5-dimethylpyrazole-4-carboxylic acid methyl ester