1-acetyl-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole

Base Information

• Chemical Name: 1-acetyl-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole
• CAS No.: 100134-56-3
• Molecular Formula: C12H14N2O
• Molecular Weight: 202.25200
• DSSTox Substance ID: DTXSID50402813
• Mol file: 100134-56-3.mol

Synonyms:100134-56-3;1-acetyl-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole;1-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)ethanone;STK072475;1-(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone;SCHEMBL9370534;DTXSID50402813;AKOS005390560;AS-662/43471457

Chemical Property of 1-acetyl-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole

Chemical Property:

• PSA: 32.67000
• LogP: 1.72930
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 202.110613074
• Heavy Atom Count: 15
• Complexity: 279

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-acetyl-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole

There total 6 articles about 1-acetyl-3-methyl-5-phenyl-4,5-dihydro-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: 60.0%

3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole (939-03-7) + acetic acid (64-19-7,77671-22-8) → 1-(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone (100134-56-3)

Guidance literature:

acetic acid; With thionyl chloride; In dichloromethane; at 20 - 40 ℃; for 1.5h;

3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole; With triethylamine; In dichloromethane; at 20 ℃; for 2.25h;

DOI:10.14233/ajchem.2016.19881

Reference yield:

3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole (939-03-7) + acetic anhydride (108-24-7) → 1-(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone (100134-56-3)

Guidance literature:

With water;

DOI:10.1246/bcsj.28.197

Reference yield:

(E)-benzalacetone (1896-62-4) → 1-(3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone (100134-56-3)

Guidance literature:

With hydrazine hydrate; acetic acid;

upstream raw materials:

3-methyl-5-phenyl-4,5-dihydro-1H-pyrazole

acetic anhydride

acetyl chloride

(E)-benzalacetone

Downstream raw materials:

1-acetyl-2-ethyl-3-phenyl-5-methylpyrazolidine

2-bromo-1-(3-methyl-5-phenyl-4,5-dihydropyrazol-1-yl)ethanone