3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-phenyl-

Base Information

• Chemical Name: 3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-phenyl-
• CAS No.: 41927-50-8
• Molecular Formula: C10H10N2O
• Molecular Weight: 174.202
• Hs Code.: 2933199090
• NSC Number: 49177
• DSSTox Substance ID: DTXSID80194693
• Nikkaji Number: J116.936J
• Mol file: 41927-50-8.mol

Synonyms:41927-50-8;1-Methyl-3-phenyl-1H-pyrazol-5(4H)-one;2-methyl-5-phenyl-4H-pyrazol-3-one;3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-phenyl-;2-Methyl-5-phenyl-2,4-dihydro-3H-pyrazol-3-one;1-Methyl-3-phenyl-2-pyrazoline-5-one;NSC49177;3H-Pyrazol-3-one,2,4-dihydro-2-methyl-5-phenyl-;2,4-DIHYDRO-2-METHYL-5-PHENYL-3H-PYRAZOL-3-ONE;ChemDiv3_014289;SCHEMBL4625694;1-Methyl-3-phenyl-5-pyrazolone;DTXSID80194693;HMS1513J11;NSC 49177;NSC-49177;1-methyl-3-phenyl-2-pyrazolin-5-one;AKOS008956595;IDI1_030087;CS-0094262;N16888;3H-Pyrazol-3-one,4-dihydro-2-methyl-5-phenyl-;J-504929;2-Methyl-5-phenyl-2,4-dihydro-3H-pyrazol-3-one #

Chemical Property of 3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-phenyl-

Chemical Property:

• Vapor Pressure: 0.000134mmHg at 25°C
• Refractive Index: 1.606
• Boiling Point: 333.7 °C at 760 mmHg
• Flash Point: 155.6 °C
• PSA: 32.67000
• Density: 1.17 g/cm³
• LogP: 0.62630
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 174.079312947
• Heavy Atom Count: 13
• Complexity: 241

Purity/Quality:

99% ^*data from raw suppliers

1-Methyl-3-phenyl-1H-pyrazol-5(4H)-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-phenyl-

There total 4 articles about 3H-Pyrazol-3-one, 2,4-dihydro-2-methyl-5-phenyl- 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: 87.0%

ethyl 3-oxo-3-phenylpropionate (94-02-0) + methylhydrazine (60-34-4) → 1-methyl-3-phenyl-2-pyrazolin-5-one (41927-50-8)

Guidance literature:

In 1,4-dioxane; at 20 ℃; for 23h;

DOI:10.3184/174751913X13636169962208

Reference yield: 73.0%

→ 1-methyl-3-phenyl-2-pyrazolin-5-one (41927-50-8)

Guidance literature:

In ethanol; at 0 - 60 ℃; for 3h;

Reference yield: 60.0%

ethyl 3-oxo-3-phenylpropionate (94-02-0) + 1-methylhydrazine dihydrochloride (7339-53-9,55330-60-4,88216-08-4) → 1-methyl-3-phenyl-2-pyrazolin-5-one (41927-50-8)

Guidance literature:

1-methylhydrazine dihydrochloride; In ethanol; at 0 ℃; for 0.166667h;

ethyl 3-oxo-3-phenylpropionate; In ethanol; for 12h; Reflux;

DOI:10.1039/c4cc05237d

upstream raw materials:

ethyl 3-oxo-3-phenylpropionate

methylhydrazine

1-methylhydrazine dihydrochloride

methyldiazene

Downstream raw materials:

4-[(Z)-4-Dimethylamino-phenylimino]-2-methyl-5-phenyl-2,4-dihydro-pyrazol-3-one

5-chloro-1-methyl-3-phenyl-1H-pyrazole-4-carboxaldehyde

1-methyl-3-phenyl-pyrazolo<3,4-b>quinoline

1,4-Dimethyl-3-phenyl-1H-pyrano[2,3-c]pyrazol-6-one

Refernces

• 1、 -. "Anti-cancer compounds targeting Ral GTPases and methods of using the same". Page/Page column 55; 64. . Retrieved 2016/06/28.
• 2、 Yan, Chao,Theodorescu, Dan,Miller, Bettina,Kumar, Amit,Kumar, Vijay,Ross, David,Wempe, Michael F.. "Synthesis of novel Ral inhibitors: An in vitro and in vivo study". supporting information. p. 5815 - 5818. Retrieved 2016/11/25.