3-METHYL-4-PHENYLPYRAZOLE

Base Information

• Chemical Name: 3-METHYL-4-PHENYLPYRAZOLE
• CAS No.: 13788-84-6
• Molecular Formula: C10H10 N2
• Molecular Weight: 158.203
• Hs Code.: 2933199090
• Mol file: 13788-84-6.mol

Synonyms:Pyrazole,3(or 5)-methyl-4-phenyl- (7CI); 3-Methyl-4-phenyl-1H-pyrazole;3-Methyl-4-phenylpyrazole

Chemical Property of 3-METHYL-4-PHENYLPYRAZOLE

Chemical Property:

• Vapor Pressure: 0.000568mmHg at 25°C
• Melting Point: 142-144°C
• Boiling Point: 321.2°Cat760mmHg
• PKA: 14.50±0.50(Predicted)
• Flash Point: 148.4°C
• PSA: 28.68000
• Density: 1.109g/cm³
• LogP: 2.38510
• Storage Temp.: -20?C Freezer
• Solubility.: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: Soluble in DMSO, Methanol. Insoluble in water.

Purity/Quality:

97% ^*data from raw suppliers

3-Methyl-4-phenylpyrazole ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-Methyl-4-phenylpyrazole (cas# 13788-84-6) is a compound useful in organic synthesis.

Technology Process of 3-METHYL-4-PHENYLPYRAZOLE

There total 13 articles about 3-METHYL-4-PHENYLPYRAZOLE 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: 84.0%

4-bromo-3-methyl-1H-pyrazole (13808-64-5) + phenylboronic acid (98-80-6) → 3-Methyl-4-phenyl-1H-pyrazole (13788-84-6)

Guidance literature:

With palladium diacetate; potassium carbonate; catacxium A; In 1,4-dioxane; water; at 100 ℃; for 12h; Inert atmosphere;

DOI:10.3390/molecules26040991

Reference yield: 77.0%

acetophenone p-toluenesulfonylhydrazone (4545-21-5) + calcium carbide (75-20-7) → 3-Methyl-4-phenyl-1H-pyrazole (13788-84-6) + 4-methyl-3-phenyl-1H-pyrazole (13808-62-3)

Guidance literature:

With water; caesium carbonate; In dimethyl sulfoxide; at 80 ℃; for 6h; regioselective reaction; Schlenk technique;

DOI:10.1039/c6gc02776h

Reference yield: 61.0%

(1-diazoethyl)benzene (22293-10-3) + calcium carbide (75-20-7) → 3-Methyl-4-phenyl-1H-pyrazole (13788-84-6) + 4-methyl-3-phenyl-1H-pyrazole (13808-62-3)

Guidance literature:

With water; caesium carbonate; In dimethyl sulfoxide; at 80 ℃; for 6h; regioselective reaction; Schlenk technique;

DOI:10.1039/c6gc02776h

upstream raw materials:

5-methyl-5-nitro-4-phenyl-4,5-dihydro-1H-pyrazole

3-Oxo-2-phenylbutanal

4-(2-aminophenyl)-3-methylpyrazole

morpholine

Downstream raw materials:

4-phenyl-1H-pyrazole-3-carboxylic acid

2-(4-(3-methyl-4-phenyl-1H-pyrazol-1-yl)phenyl)ethyl(4-methylphenyl) sulfonylcarbamate

1-methyl-2-(3-methyl-4-phenyl-1H-pyrazol-1-yl)-1H-benzo-[d]imidazole

ethyl (2R)-2-methyl-4-(3-methyl-4-phenyl-1H-pyrazol-1-yl)-2-(methylsulfonyl)butanoate