1-Methyl-5-phenylpyrazole

Base Information

• Chemical Name: 1-Methyl-5-phenylpyrazole
• CAS No.: 3463-27-2
• Molecular Formula: C10H10N2
• Molecular Weight: 158.203
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID50188201
• Nikkaji Number: J479.002B
• Wikidata: Q83060020
• Mol file: 3463-27-2.mol

Synonyms:1-methyl-5-phenyl-1H-pyrazole;3463-27-2;1-Methyl-5-phenylpyrazole;1H-Pyrazole, 1-methyl-5-phenyl-;Pyrazole, 1-methyl-5-phenyl-;SCHEMBL3926262;DTXSID50188201;AMY11893;MFCD14643706;STL583932;AKOS005169503;DS-6691;A6086;CS-0215305;FT-0732091;EN300-232596;O10429

Chemical Property of 1-Methyl-5-phenylpyrazole

Chemical Property:

• Vapor Pressure: 0.00641mmHg at 25°C
• Refractive Index: 1.581
• Boiling Point: 280.5 °C at 760 mmHg
• PKA: 2.09±0.10(Predicted)
• Flash Point: 123.4 °C
• PSA: 17.82000
• Density: 1.04 g/cm³
• LogP: 2.08710
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 158.084398327
• Heavy Atom Count: 12
• Complexity: 141

Purity/Quality:

97% ^*data from raw suppliers

1-Methyl-5-phenyl-1H-pyrazole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=CC=N1)C2=CC=CC=C2

Technology Process of 1-Methyl-5-phenylpyrazole

There total 40 articles about 1-Methyl-5-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: 96.0%

1-methyl-5-phenylpyrazole-3,4-dicarboxylic acid (105994-74-9) → 1-methyl-5-phenyl-1H-pyrazole (3463-27-2)

Guidance literature:

In diphenylether; Heating;

Reference yield: 93.0%

5-iodo-1-methyl-1H-pyrazole (34091-51-5) + phenylboronic acid (98-80-6) → 1-methyl-5-phenyl-1H-pyrazole (3463-27-2)

Guidance literature:

With palladium diacetate; caesium carbonate; tricyclohexylphosphine tetrafluoroborate; In 1,4-dioxane; at 100 ℃; for 14h;

DOI:10.1002/bkcs.12175

Reference yield: 82.0%

1-methyl-5-phenyl-1H-pyrazole; picrate (105994-76-1) → 1-methyl-5-phenyl-1H-pyrazole (3463-27-2)

Guidance literature:

With sodium hydroxide; In benzene;

upstream raw materials:

diethyl ether

ethanol

β-bromo-cis-cinnamaldehyde

sodium acetate

Downstream raw materials:

1-methyl-5-phenyl-1H-pyrazole-4-carbaldehyde

trans-dichloro{bis(1-methyl-5-phenylpyrazole)}palladium(II)

4-bromo-1-methyl-3-phenyl-1H-pyrazole

4-bromo-1-methyl-5-phenyl-1H-pyrazole