1,3-Dimethylpyrazole

Base Information

• Chemical Name: 1,3-Dimethylpyrazole
• CAS No.: 694-48-4
• Molecular Formula: C5H8N2
• Molecular Weight: 96.1319
• Hs Code.: 2933199090
• Mol file: 694-48-4.mol

Synonyms:Pyrazole,1,3-dimethyl- (7CI,8CI);1,3-Dimethyl-1H-pyrazole;1,3-Dimethylpyrazole;2,5-Dimethylpyrazole;NSC 190569;1,3-Dimethyl pyrazole;

Chemical Property of 1,3-Dimethylpyrazole

Chemical Property:

• Vapor Pressure: 7.74mmHg at 25°C
• Melting Point: 82.75°C (estimate)
• Refractive Index: 1.518
• Boiling Point: 153 °C at 760 mmHg
• PKA: 2.72±0.10(Predicted)
• Flash Point: 38.6 °C
• PSA: 17.82000
• Density: 0.98 g/cm³
• LogP: 0.72850
• Storage Temp.: Room temperature.
• Solubility.: Chloroform (Sparingly)

Purity/Quality:

99% ^*data from raw suppliers

1,3-Dimethylpyrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 1,3-Dimethylpyrazole (cas# 694-48-4) is a compound useful in organic synthesis.

Technology Process of 1,3-Dimethylpyrazole

There total 5 articles about 1,3-Dimethylpyrazole 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: 64.0%

N,N-Dimethylhydrazine (57-14-7) + 4-chloro-3-buten-2-one (7119-27-9) → 1,3-dimethyl-1H-pyrazole (694-48-4)

Guidance literature:

In diethyl ether; at 20 ℃; for 5h;

DOI:10.1134/S1070428008080150

Reference yield: 64.0%

N,N-Dimethylhydrazine (57-14-7) + 4-chloro-3-buten-2-one (7119-27-9) → 1,3-dimethyl-1H-pyrazole (694-48-4) + 1,1,1-Trimethylhydrazinium chloride (5675-48-9)

Guidance literature:

In hexane;

DOI:10.1023/A:1013959531497 DOI:10.1023/A:1022564707537

Reference yield:

N,N-Dimethylhydrazine (57-14-7) + acetone (67-64-1) → 1,3-dimethyl-1H-pyrazole (694-48-4) + tetramethylhydrazine (6415-12-9) + Acetone dimethylhydrazone (13483-31-3) + N-Nitrosodimethylamine (62-75-9) + acetaldehydedimethylhydrazone (7422-90-4) + 1,2-bis(2-methyl-2-phenylhydrazone) (26757-28-8) + propan-2-one azine (627-70-3)

Guidance literature:

With shungite;

DOI:10.1134/S1070363214060097

upstream raw materials:

3-oxobutyraldehyde

methylhydrazine

N,N-Dimethylhydrazine

4-chloro-3-buten-2-one

Downstream raw materials:

1,3-Dimethyl-4-chlor-pyrazol

4-bromo-1,3-dimethyl-1H-pyrazole

1,3-dimethylpyrazol-5-carboxylic acid

1,3-dimethyl-4-nitro-1H-pyrazole

Refernces

• 1、 Bozhenkov,Savosik,Klyba,Zhanchipova,Mirskova,Levkovskaya. "1-Alkylpyrazoles and 1-alkyl-5-chloropyrazoles from halovinyl ketones and 1,1-dialkylhydrazines". experimental part. p. 1194 - 1199. Retrieved 2009/09/29.
• 2、 Levkovskaya,Bozhenkov,Malyushenko,Mirskova. "Synthesis of pyrazole derivatives from 1,1-dimethylhydrazine and chlorovinyl ketones". . p. 1795 - 1796. Retrieved 2007/10/03.