4-Methyl-3-phenyl-1H-pyrazole

Base Information

• Chemical Name: 4-Methyl-3-phenyl-1H-pyrazole
• CAS No.: 13808-62-3
• Molecular Formula: C10H10N2
• Molecular Weight: 158.203
• European Community (EC) Number: 822-391-4
• NSC Number: 139188
• DSSTox Substance ID: DTXSID501339823
• Nikkaji Number: J1.532.553D
• Mol file: 13808-62-3.mol

Synonyms:4-Methyl-3-phenyl-1H-pyrazole;13808-62-3;4-methyl-5-phenyl-1H-pyrazole;4-methyl-3-phenylpyrazole;methyl-phenylpyrazole;NSC139188;4-Methyl-5-phenyl-1-pyrazole;Pyrazole, 4-methyl-3-phenyl-;SCHEMBL2449809;SCHEMBL12369662;LANBPXHLIUYXOT-UHFFFAOYSA-;DTXSID501339823;1H-Pyrazole, 4-methyl-3-phenyl-;4-Methyl-3-phenyl-1H-pyrazole #;MFCD01569521;AKOS006228257;NSC-139188;BS-14999;CS-0217816;C72531;EN300-861886;Z2943582097;InChI=1/C10H10N2/c1-8-7-11-12-10(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)

Chemical Property of 4-Methyl-3-phenyl-1H-pyrazole

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 158.084398327
• Heavy Atom Count: 12
• Complexity: 141

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(NN=C1)C2=CC=CC=C2

Technology Process of 4-Methyl-3-phenyl-1H-pyrazole

There total 21 articles about 4-Methyl-3-phenyl-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: 98.0%

2-methyl-3-phenyl-2-propenal (101-39-3) → 4-methyl-3-phenyl-1H-pyrazole (13808-62-3)

Guidance literature:

With tetrabutylammomium bromide; toluene-4-sulfonic acid hydrazide; sodium hydroxide; In water; at 80 ℃; for 10h; Air atmosphere;

DOI:10.1016/j.tet.2011.09.074

Reference yield: 88.0%

ortho-propanoyl-benzaldehyde (207673-23-2) → 4-methyl-3-phenyl-1H-pyrazole (13808-62-3)

Guidance literature:

ortho-propanoyl-benzaldehyde; With hydrazine; In ethanol; water; at 20 ℃; for 3h; Heating / reflux;

With hydrogenchloride; In water; pH=1;

Reference yield: 85.0%

phenyl isopropyl ketone (611-70-1) → 4-methyl-3-phenyl-1H-pyrazole (13808-62-3)

Guidance literature:

With sodium hydroxide; sodium iodide; In water;

upstream raw materials:

4-methyl-5-phenyl-1H-pyrazole-3-carboxylic acid

trans-1-(2-propenyl)pyrrolidine

2,5-diphenyl-6H-1,3,4-oxadiazin-6-one

5-hydrazino-4-methyl-3-phenyl-isoxazole

Downstream raw materials:

4-methyl-3-(4-nitro-phenyl)-1⁽²⁾H-pyrazole

N,N-dimethyl-2-(4-methyl-5-phenyl-pyrazol-1-yl)-butyramide

N,N-dimethyl-2-(4-methyl-3-phenyl-pyrazol-1-yl)-butyramide

2-(4-methyl-3-phenyl-pyrazol-1-yl)-propionic acid