3,4-Dimethyl-1H-pyrazole

Base Information

• Chemical Name: 3,4-Dimethyl-1H-pyrazole
• CAS No.: 2820-37-3
• Molecular Formula: C5H8N2
• Molecular Weight: 96.1319
• Hs Code.: 2933199090
• European Community (EC) Number: 429-130-1,632-592-7
• UNII: 7LF1K5QUJ0
• DSSTox Substance ID: DTXSID90182465
• Nikkaji Number: J478.988A,J478.989J
• Wikidata: Q27268518
• Mol file: 2820-37-3.mol

Synonyms:3,4-Dimethyl-1H-pyrazole;2820-37-3;3,4-DIMETHYLPYRAZOLE;4,5-dimethyl-1H-pyrazole;3(5),4-Dimethylpyrazole;3,4-dimethyl pyrazole;1H-Pyrazole, 3,4-dimethyl-;88054-15-3;UNII-7LF1K5QUJ0;7LF1K5QUJ0;MFCD00462154;EC 429-130-1;Pyrazole, 3,4-dimethyl-;3,4-Dimethyl 1H-pyrazole;3,4-Dimethyl-1H-pyrazole #;DTXSID90182465;CHEBI:148437;3,4-DIMETHYL-2H-PYRAZOLE;STK328049;AKOS005431123;CS-W005197;SB16018;3,4-Dimethyl-1H-pyrazole, >=97.0%;AS-58092;SY024902;FT-0667543;3,4-Dimethyl-1H-pyrazole, analytical standard;EN300-191675;J-016999;Q27268518

Chemical Property of 3,4-Dimethyl-1H-pyrazole

Chemical Property:

• Appearance/Colour: Light Yellow Solid
• Vapor Pressure: 0.168mmHg at 25°C
• Melting Point: 44-46 °C
• Refractive Index: 1.519
• Boiling Point: 220.3 °C at 760 mmHg
• PKA: 15.51±0.50(Predicted)
• Flash Point: 98.7 °C
• PSA: 28.68000
• Density: 1.027 g/cm³
• LogP: 1.02650
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Acetonitrile (Very Slightly), Chloroform (Slightly)
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 96.068748264
• Heavy Atom Count: 7
• Complexity: 63.1

Purity/Quality:

99%min ^*data from raw suppliers

3,4-Dimethylpyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-41-52/53
• Safety Statements: 26-39-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(NN=C1)C
• Uses: 3,4-Dimethyl-1H-pyrazole is used as pharmaceutical intermediate.

Technology Process of 3,4-Dimethyl-1H-pyrazole

There total 18 articles about 3,4-Dimethyl-1H-pyrazole 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: 88.4%

→ 3,4-dimethyl-1H-pyrazole (2820-37-3)

Guidance literature:

Reference yield: 75.45%

3-methyl-butan-2-one (563-80-4) → 3,4-dimethyl-1H-pyrazole (2820-37-3)

Guidance literature:

With hydrazine hydrate; sulfuric acid; sodium iodide; In water; at 50 - 135 ℃; for 5.5h; Large scale;

Reference yield: 60.0%

→ 3-ethyl-1H-pyrazole (13808-71-4) + 3,4-dimethyl-1H-pyrazole (2820-37-3)

Guidance literature:

upstream raw materials:

4-hydroxy-3-methyl-but-3-en-2-one

2-ethyl-3-hydroxy-acrylaldehyde

3,4-dimethyl-2H-pyrazole-5-carboxylic acid

6-Chloro-2-(3,5-dimethyl-pyrazol-1-yl)-3-ethyl-3H-quinazolin-4-one

Downstream raw materials:

3,4-Dimethyl-1H-pyrazol-1-amin

4,5-Dimethyl-1H-pyrazol-1-amin

4,5-dimethyl-1,2,3-triazine

3,4-dimethylpyrazole phosphate

Refernces

• 1、 -. "Method for preparing 3,4-dimethylpyrazole and phosphate and metal organic complex thereof". Paragraph 0091; 0094; 0095; 0096. . Retrieved 2019/05/02.
• 2、 -. "Preparation method of 3,4-dimethylpyrazole and preparation method of 3,4-dimethylpyrazole phosphate". Paragraph 0058; 0059. . Retrieved 2019/10/01.