1-Phenyl-2-(1H-pyrazol-1-yl)ethanone

Base Information

• Chemical Name: 1-Phenyl-2-(1H-pyrazol-1-yl)ethanone
• CAS No.: 1457-48-3
• Molecular Formula: C₁₁H₁₀N₂O
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID301328773
• ChEMBL ID: CHEMBL1411408
• Mol file: 1457-48-3.mol

Synonyms:1457-48-3;1-phenyl-2-(1H-pyrazol-1-yl)ethan-1-one;1-Phenyl-2-(1H-pyrazol-1-yl)ethanone;1-phenyl-2-pyrazol-1-ylethanone;1-phenyl-2-(1H-pyrazol-1-yl)-1-ethanone;MLS000721794;SCHEMBL4983149;CHEMBL1411408;URKAPRSDRFNYCG-UHFFFAOYSA-N;DTXSID301328773;HMS2710J15;BAA45748;MFCD00228772;AKOS009169269;1-Phenyl-2(1H-pyrazol-1-yl)ethanone;SMR000336949;1-PHENYL-2-PYRAZOL-1-YL-ETHANONE;FT-0770018;11A-040

Chemical Property of 1-Phenyl-2-(1H-pyrazol-1-yl)ethanone

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 186.079312947
• Heavy Atom Count: 14
• Complexity: 200

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)CN2C=CC=N2

Technology Process of 1-Phenyl-2-(1H-pyrazol-1-yl)ethanone

There total 5 articles about 1-Phenyl-2-(1H-pyrazol-1-yl)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: 67.0%

NH-pyrazole (288-13-1) + α-bromoacetophenone (70-11-1) → 1-phenyl-2-(1H-pyrazol-1-yl)ethan-1-one (1457-48-3)

Guidance literature:

With potassium carbonate; at 60 ℃; for 5h; Inert atmosphere;

DOI:10.1002/adsc.201701519

Reference yield:

NH-pyrazole (288-13-1) + 1-chloroacetophenone (532-27-4,108321-66-0,164322-25-2) → 1-phenyl-2-(1H-pyrazol-1-yl)ethan-1-one (1457-48-3)

Guidance literature:

With potassium carbonate; In acetonitrile; for 5h;

Reference yield:

1-styrenyloxytrimethylsilane (13735-81-4) → 1-phenyl-2-(1H-pyrazol-1-yl)ethan-1-one (1457-48-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: boron trifluoride diethyl etherate / dichloromethane / 0.17 h / -78 °C / Inert atmosphere

1.2: 0.17 h / -78 °C / Inert atmosphere

2.1: dichloromethane / -78 - 55 °C / Inert atmosphere

With boron trifluoride diethyl etherate; In dichloromethane;

DOI:10.1021/acs.joc.7b03058

upstream raw materials:

NH-pyrazole

1-chloroacetophenone

1-styrenyloxytrimethylsilane

α-bromoacetophenone

Downstream raw materials:

1-<(2'-hydroxy-2'-phenylethyl)>pyrazole