4-Bromo-1,3,5-trimethyl-1H-pyrazole

Base Information

• Chemical Name: 4-Bromo-1,3,5-trimethyl-1H-pyrazole
• CAS No.: 15801-69-1
• Molecular Formula: C6H9BrN2
• Molecular Weight: 189.055
• Hs Code.: 29331990
• Mol file: 15801-69-1.mol

Synonyms:4-Bromo-1,3,5-trimethylpyrazole;1,3,5-Trimethyl-4-bromopyrazole;Pyrazole,4-bromo-1,3,5-trimethyl- (6CI,7CI,8CI);

Chemical Property of 4-Bromo-1,3,5-trimethyl-1H-pyrazole

Chemical Property:

• Appearance/Colour: White crystalline solid
• Vapor Pressure: 0.139mmHg at 25°C
• Melting Point: 30-34 °C(lit.)
• Refractive Index: 1.576
• Boiling Point: 224 °C at 760 mmHg
• PKA: 1.26±0.10(Predicted)
• Flash Point: 89.3 °C
• PSA: 17.82000
• Density: 1.5 g/cm³
• LogP: 1.79940
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Dichloromethane, Ethanol

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-1,3,5-trimethylpyrazole ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-Bromo-1,3,5-trimethyl-1H-pyrazole

There total 3 articles about 4-Bromo-1,3,5-trimethyl-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: 86.0%

1,3,5-trimethyl-1H-pyrazole (1072-91-9) → 4-bromo-1,3,5-trimethylpyrazole (15801-69-1)

Guidance literature:

With N-Bromosuccinimide; In ethyl acetate; at 25 - 30 ℃; for 0.1h; ultrasound irradiation;

DOI:10.1016/j.tetlet.2005.08.027

Reference yield: 70.0%

4-Bromo-3,5-dimethylpyrazole (3398-16-1) + methyl bromide (74-83-9) → 4-bromo-1,3,5-trimethylpyrazole (15801-69-1)

Guidance literature:

With potassium hydroxide; In ethanol; at 78 ℃; for 1.5h;

DOI:10.1002/jhet.5570410612

Reference yield:

→ 4-bromo-1,3,5-trimethylpyrazole (15801-69-1)

Guidance literature:

Na-Salz des entspr. Pyrazols, Methylhalogenid;

DOI:10.1021/jo00927a025

upstream raw materials:

1,3,5-trimethyl-1H-pyrazole

4-Bromo-3,5-dimethylpyrazole

methyl bromide

Downstream raw materials:

4-cyano-1,3,5-trimethylpyrazole

1,3,5-trimethyl-4-dimethylphenylsilylpyrazole

1,3,5-trimethylpyrazole-4-boronic acid pinacol ester

1,3,5-trimethyl-1H-pyrazol-4-amine

Refernces

• 1、 Stefani, Hélio A.,Pereira, Claudio M. P.,Almeida, Roberta B.,Braga, Rodolpho C.,Guzen, Karla P.,Cella, Rodrigo. "A mild and efficient method for halogenation of 3,5-dimethyl pyrazoles by ultrasound irradiation using N-halosuccinimides". . p. 6833 - 6837. Retrieved 2007/10/03.