1-Phenyl-4-methylpyrazole

Base Information

• Chemical Name: 1-Phenyl-4-methylpyrazole
• CAS No.: 14766-43-9
• Molecular Formula: C10H10N2
• Molecular Weight: 158.203
• Hs Code.: 2933199090
• DSSTox Substance ID: DTXSID00401417
• Nikkaji Number: J2.163.221J
• Wikidata: Q72497853
• Mol file: 14766-43-9.mol

Synonyms:14766-43-9;4-methyl-1-phenyl-1H-Pyrazole;1-PHENYL-4-METHYLPYRAZOLE;4-methyl-1-phenylpyrazole;4-methyl-1-phenyl-pyrazole;SCHEMBL255496;DTXSID00401417;MFCD00957093;AKOS010094943;CS-0241301;FT-0728048;EN300-232259;A808673

Chemical Property of 1-Phenyl-4-methylpyrazole

Chemical Property:

• Vapor Pressure: 0.0173mmHg at 25°C
• Refractive Index: 1.581
• Boiling Point: 262.9 °C at 760 mmHg
• Flash Point: 112.8 °C
• PSA: 17.82000
• Density: 1.04g/cm³
• LogP: 2.18070
• XLogP3: 2.3
• 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

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN(N=C1)C2=CC=CC=C2

Technology Process of 1-Phenyl-4-methylpyrazole

There total 16 articles about 1-Phenyl-4-methylpyrazole 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: 98.0%

4-methyl-1H-pyrazole (7554-65-6) + iodobenzene (591-50-4) → 4-methyl-1-phenyl-1H-pyrazole (14766-43-9)

Guidance literature:

With hydroxybenzaldoxime; copper(I) oxide; In acetonitrile; at 82 ℃; for 24h;

DOI:10.1002/ejoc.200300709

Reference yield: 95.0%

4-methyl-1H-pyrazole (7554-65-6) + aniline (62-53-3) → 4-methyl-1-phenyl-1H-pyrazole (14766-43-9)

Guidance literature:

aniline; With tert.-butylnitrite; acetic acid; In methanol; at 0 ℃; for 0.5h; Schlenk technique; Inert atmosphere;

4-methyl-1H-pyrazole; With copper diacetate; In methanol; at 0 - 20 ℃; for 14h; Schlenk technique; Inert atmosphere;

DOI:10.1002/chem.201404982

Reference yield: 80.0%

1,1,3,3-tetraethoxy-2-methyl-propane (10602-37-6) + phenylhydrazine (100-63-0) → 4-methyl-1-phenyl-1H-pyrazole (14766-43-9)

Guidance literature:

With sulfuric acid; In ethanol; water; for 3h; Heating;

DOI:10.1021/ja00070a008

upstream raw materials:

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

3-ethoxy-2-ethoxymethyl-3-methoxy-propylamine

phenylhydrazine

1,1,3,3-tetraethoxy-2-methyl-propane

Downstream raw materials:

4-carboxy-1-phenylpyrazole

4-methyl-1-(4-nitrophenyl)-1H-pyrazole

(E)-2-methyl-3-(N-phenylamino)propenenitrile

4-(4-methyl-1H-pyrazol-1-yl)aniline