1-[4-(1H-pyrazol-1-yl)phenyl]ethanone

Base Information

• Chemical Name: 1-[4-(1H-pyrazol-1-yl)phenyl]ethanone
• CAS No.: 25699-98-3
• Molecular Formula: C11H10 N2 O
• Molecular Weight: 186.213
• Hs Code.: 2933199090
• European Community (EC) Number: 959-794-0
• DSSTox Substance ID: DTXSID50481840
• Nikkaji Number: J648.457C
• Wikidata: Q82317494
• Mol file: 25699-98-3.mol

Synonyms:25699-98-3;4'-(1-Pyrazolyl)acetophenone;1-[4-(1H-pyrazol-1-yl)phenyl]ethanone;1-(4-pyrazol-1-ylphenyl)ethanone;1-(4-(1H-Pyrazol-1-yl)phenyl)ethanone;4-(1H-Pyrazol-1-yl)acetophenone;MFCD08572143;1-[4-(1H-pyrazol-1-yl)phenyl]ethan-1-one;4'-(1H-pyrazol-1-yl)acetophenone;Ethanone, 1-[4-(1H-pyrazol-1-yl)phenyl]-;SCHEMBL609355;DTXSID50481840;SGXKUEXZFMNYRE-UHFFFAOYSA-N;1-(4-pyrazol-1-yl-phenyl)ethanone;4`-(1H-pyrazol-1-yl)acetophenone;1-(4-pyrazol-1-yl-phenyl)-ethanone;AKOS000117917;CS-11078;SY004867;CS-0155092;FT-0724663;1-[4-(PYRAZOL-1-YL)PHENYL]ETHANONE;EN300-27358;4 inverted exclamation mark -(1-Pyrazolyl)acetophenone;F8880-3352;Z235340087

Chemical Property of 1-[4-(1H-pyrazol-1-yl)phenyl]ethanone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 108 °C
• Refractive Index: 1.594
• Boiling Point: 323.453°C at 760 mmHg
• PKA: -0.44±0.10(Predicted)
• Flash Point: 149.42°C
• PSA: 34.89000
• Density: 1.132g/cm³
• LogP: 2.07490
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 186.079312947
• Heavy Atom Count: 14
• Complexity: 209

Purity/Quality:

97% ^*data from raw suppliers

1-[4-(1H-Pyrazol-1-yl)phenyl]ethan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(C=C1)N2C=CC=N2

Technology Process of 1-[4-(1H-pyrazol-1-yl)phenyl]ethanone

There total 8 articles about 1-[4-(1H-pyrazol-1-yl)phenyl]ethanone 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: 99.0%

NH-pyrazole (288-13-1) + 4-Iodoacetophenone (13329-40-3) → 1-(4-pyrazol-1-yl-phenyl)ethanone (25699-98-3)

Guidance literature:

With copper(II) acetate monohydrate; caesium carbonate; In N,N-dimethyl-formamide; at 110 ℃; for 24h; Inert atmosphere;

DOI:10.1016/j.tet.2011.05.025

Reference yield: 96.0%

NH-pyrazole (288-13-1) + para-bromoacetophenone (99-90-1) → 1-(4-pyrazol-1-yl-phenyl)ethanone (25699-98-3)

Guidance literature:

With copper(l) iodide; 2-hydroxy-pyridine N-oxide; caesium carbonate; In N,N-dimethyl-formamide; at 65 ℃; for 24h; Inert atmosphere;

DOI:10.1002/cjoc.201400147

Reference yield: 86.0%

NH-pyrazole (288-13-1) + para-chloroacetophenone (99-91-2) → 1-(4-pyrazol-1-yl-phenyl)ethanone (25699-98-3)

Guidance literature:

With copper(I) oxide; copper; caesium carbonate; In dimethyl sulfoxide; at 150 ℃; for 18h;

upstream raw materials:

NH-pyrazole

para-chloroacetophenone

para-bromoacetophenone

4-Iodoacetophenone

Downstream raw materials:

C₁₈H₁₃ClN₂O

C₂₁H₂₀N₂O₄

C₁₉H₁₆N₂O₂