6-(4-Fluorophenyl)pyridazin-3-ol

Base Information

• Chemical Name: 6-(4-Fluorophenyl)pyridazin-3-ol
• CAS No.: 58897-67-9
• Molecular Formula: C10H7FN2O
• Molecular Weight: 190.177
• Hs Code.: 2933990090
• European Community (EC) Number: 853-489-5
• ChEMBL ID: CHEMBL4130090
• DSSTox Substance ID: DTXSID50404317
• Nikkaji Number: J685.148G
• Wikidata: Q82208442
• Mol file: 58897-67-9.mol

Synonyms:6-(4-fluorophenyl)pyridazin-3-ol;58897-67-9;6-(4-fluorophenyl)pyridazin-3(2H)-one;3-(4-fluorophenyl)-1H-pyridazin-6-one;6-(4-FLUOROPHENYL)-3(2H)-PYRIDAZINONE;MFCD03416579;ChemDiv3_015575;3(2H)-Pyridazinone,6-(4-fluorophenyl)-;6-(4-fluorophenyl)-2,3-dihydropyridazin-3-one;F1967-0287;SCHEMBL4122238;CHEMBL4130090;DTXSID50404317;SWHTYHMWPIYECQ-UHFFFAOYSA-N;HMS1517D21;3-(4'-Fluorophenyl)-6-pyridazinone;AKOS005208288;AKOS009606276;BS-9873;CCG-211286;6-(4-Fluoro-phenyl)-2H-pyridazin-3-one;BB 0242553;EN300-53666;6- pound 4-Fluorophenyl)-3(2H)-pyridazinone;AE-641/11407911;Z432063102

Chemical Property of 6-(4-Fluorophenyl)pyridazin-3-ol

Chemical Property:

• Melting Point: 265-268 °C
• PKA: 11.01±0.40(Predicted)
• PSA: 45.75000
• Density: 1.3 g/cm³
• LogP: 1.57600
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 190.05424101
• Heavy Atom Count: 14
• Complexity: 291

Purity/Quality:

NLT 98% ^*data from raw suppliers

6-(4-Fluorophenyl)pyridazin-3(2H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NNC(=O)C=C2)F

Technology Process of 6-(4-Fluorophenyl)pyridazin-3-ol

There total 7 articles about 6-(4-Fluorophenyl)pyridazin-3-ol 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%

3-chloro-6-(4-fluorophenyl)pyridazine (66548-52-5) → 6-(p-fluorophenyl)-3(2H)-pyridazinone (58897-67-9)

Guidance literature:

With acetic acid; at 120 ℃; for 4h;

DOI:10.1016/j.bmcl.2014.08.067

Reference yield: 95.0%

6-(4-Fluoro-phenyl)-4,5-dihydro-2H-pyridazin-3-one (39499-62-2) → 6-(p-fluorophenyl)-3(2H)-pyridazinone (58897-67-9)

Guidance literature:

With bromine; acetic acid; for 1h; Heating;

DOI:10.1021/jm00137a020

Reference yield: 44.0%

1,2-propylene cyclic carbonate (108-32-7) + 4-fluoroboronic acid (1765-93-1) + 6-iodopyridazin-3(2H)-one (14823-09-7) → C13H13FN2O2 + 6-(p-fluorophenyl)-3(2H)-pyridazinone (58897-67-9)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; Microwave irradiation;

DOI:10.1039/c9ra07044c

upstream raw materials:

1-(4-fluorophenyl)ethanone

Glyoxilic acid

6-(4-Fluoro-phenyl)-4,5-dihydro-2H-pyridazin-3-one

3-chloro-6-(4-fluorophenyl)pyridazine

Downstream raw materials:

3-amino-6-(4-fluorophenyl)pyridazine

[6-(4-Fluoro-phenyl)-pyridazin-3-yl]-hydrazine

6-Amino-1-(3-ethoxycarbonyl-propyl)-3-(4-fluoro-phenyl)-pyridazin-1-ium; bromide

6-(p-fluorophenyl)-1,2,4-triazolo[4,3-b)pyridazine

Refernces

• 1、 Czompa, Andrea,Pásztor, Balázs László,Sahar, Jennifer Alizadeh,Mucsi, Zoltán,Bogdán, Dóra,Ludányi, Krisztina,Varga, Zoltán,Mándity, István M.. "Scope and limitation of propylene carbonate as a sustainable solvent in the Suzuki-Miyaura reaction". . p. 37818 - 37824. Retrieved 2019/12/03.
• 2、 Kang, Seung-Tae,Kim, Eun-Young,Archary, Raghavendra,Jung, Heejung,Park, Chi Hoon,Yun, Chang-Soo,Hwang, Jong Yeon,Choi, Sang Un,Chae, Chonghak,Lee, Chong Ock,Kim, Hyoung Rae,Ha, Jae Du,Ryu, Dohyun,Cho, Sung Yun. "Discovery of substituted 6-pheny-3H-pyridazin-3-one derivatives as novel c-Met kinase inhibitors". supporting information. p. 5093 - 5097. Retrieved 2014/12/11.