Phenol, 2-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-

Base Information

• Chemical Name: Phenol, 2-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-
• CAS No.: 138840-92-3
• Molecular Formula: C15H13FN2O
• Molecular Weight: 256.279
• DSSTox Substance ID: DTXSID50410514
• Mol file: 138840-92-3.mol

Synonyms:138840-92-3;Phenol, 2-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-;DTXSID50410514;AKOS002679470

Chemical Property of Phenol, 2-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 256.10119120
• Heavy Atom Count: 19
• Complexity: 339

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C(NN=C1C2=CC=C(C=C2)F)C3=CC=CC=C3O

Technology Process of Phenol, 2-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-

There total 5 articles about Phenol, 2-[3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]- 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: 98.0%

1-(4-fluorophenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one (76626-08-9) → 1H-4,5-dihydro-3-(4-fluorophenyl)-5-(2-hydroxyphenyl)pyrazole (138840-92-3)

Guidance literature:

With hydrazine hydrate; In ethanol; for 5h; Heating;

DOI:10.1080/00397919708004094

Reference yield: 98.0%

(E)-1-(4-fluorophenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one (132971-92-7) → 1H-4,5-dihydro-3-(4-fluorophenyl)-5-(2-hydroxyphenyl)pyrazole (138840-92-3)

Guidance literature:

With hydrazine hydrate; In ethanol; for 5h; Heating;

DOI:10.1080/00397910601163927

Reference yield:

1-(4-fluorophenyl)ethanone (403-42-9) → 1H-4,5-dihydro-3-(4-fluorophenyl)-5-(2-hydroxyphenyl)pyrazole (138840-92-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / NaOH / H₂O; ethanol / Heating

2: 98 percent / hydrazine hydrate / ethanol / 5 h / Heating

With sodium hydroxide; hydrazine hydrate; In ethanol; water;

DOI:10.1080/00397910601163927

upstream raw materials:

1-(4-fluorophenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one

(E)-1-(4-fluorophenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one

2-methyl-benzyl alcohol

1-(4-fluorophenyl)ethanone

Downstream raw materials:

2-(4-fluorophenyl)-1,10b-dihydro-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-one

2-(4-Fluoro-phenyl)-1,9b-dihydro-5-oxa-3,3a-diaza-cyclopenta[a]naphthalene-4-thione

2-(4-Fluoro-phenyl)-5-oxa-3,3a-diaza-cyclopenta[a]naphthalene-4-thione

2-(4-Fluoro-phenyl)-5-oxa-3,3a-diaza-cyclopenta[a]naphthalen-4-one