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

Base Information

• Chemical Name: 3H-Pyrazol-3-one, 5-ethyl-2,4-dihydro-2-phenyl-
• CAS No.: 92753-34-9
• Molecular Formula: C11H12N2O
• Molecular Weight: 188.229
• DSSTox Substance ID: DTXSID80354371
• Nikkaji Number: J675.025G
• Wikidata: Q82132458
• ChEMBL ID: CHEMBL4520757
• Mol file: 92753-34-9.mol

Synonyms:92753-34-9;3H-Pyrazol-3-one, 5-ethyl-2,4-dihydro-2-phenyl-;72546-09-9;5-ethyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one;3-Ethyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one;3-ethyl-1-phenyl-1H-pyrazol-5(4H)-one;2,4-DIHYDRO-5-ETHYL-2-PHENYL-3H-PYRAZOL-3-ONE;5-ethyl-2-phenyl-4H-pyrazol-3-one;starbld0014860;3-ethyl-1-phenyl-4,5-dihydropyrazol-5-one;SCHEMBL4319899;CHEMBL4520757;DTXSID80354371;MFCD07809081;AKOS008956842;CCG-139725;5-Ethyl-2-phenyl-2,4-dihydro-pyrazol-3-one;Z50145871

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

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 188.094963011
• Heavy Atom Count: 14
• Complexity: 254

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=NN(C(=O)C1)C2=CC=CC=C2

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

There total 5 articles about 3H-Pyrazol-3-one, 5-ethyl-2,4-dihydro-2-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: 96.2%

phenylhydrazine (100-63-0) + ethyl propanoylacetate (4949-44-4) → 2-phenyl-5-ethyl-2,4-dihydro-3H-pyrazol-3-one (92753-34-9)

Guidance literature:

In ethanol; for 8h; Heating / reflux;

Reference yield:

phenylhydrazine hydrochloride (59-88-1) + ethyl propanoylacetate (4949-44-4) → 2-phenyl-5-ethyl-2,4-dihydro-3H-pyrazol-3-one (92753-34-9)

Guidance literature:

phenylhydrazine hydrochloride; With sodium acetate; In ethanol; water; at 20 ℃; for 0.0833333h; Inert atmosphere;

ethyl propanoylacetate; In ethanol; water; for 3h; Inert atmosphere; Reflux;

DOI:10.1002/anie.201901511

Reference yield:

5-(1-hydroxypropylidene)-2,2-dimethyl-[1,3]dioxane-4,6-dione (66696-76-2) → 2-phenyl-5-ethyl-2,4-dihydro-3H-pyrazol-3-one (92753-34-9)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / 3 h / Reflux

2: acetic acid / 24 h / Reflux

With acetic acid; In ethanol;

DOI:10.1039/d1cc00486g

upstream raw materials:

phenylhydrazine

ethyl propanoylacetate

phenylhydrazine hydrochloride

5-(1-hydroxypropylidene)-2,2-dimethyl-[1,3]dioxane-4,6-dione

Downstream raw materials:

N-[2,2,2-Trichloro-1-(3-ethyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-ethyl]-acetamide

3-ethyl-4-hydroxy-1,5-diphenylpyrano[2,3-c]pyrazol-6-one