2-(3,4-Difluorophenyl)-4-(3-hydroxy-3-methyl-butoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one

Base Information

Chemical Name:2-(3,4-Difluorophenyl)-4-(3-hydroxy-3-methyl-butoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one
CAS No.:266320-83-6
Molecular Formula:C22H22F2N2O5S
Molecular Weight:464.49
Hs Code.:
UNII:04J65IS38J
DSSTox Substance ID:DTXSID60431750
Wikidata:Q27247653

Synonyms:2-(3,4-difluorophenyl)-4-(3-hydroxy-3-methylbutoxy)-5-(4-methanesulfonylphenyl)-2H-pyridazin-3-one;ABT 963;ABT-963;ABT963

Suppliers and Price of 2-(3,4-Difluorophenyl)-4-(3-hydroxy-3-methyl-butoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2-(3,4-Difluorophenyl)-4-(3-hydroxy-3-methyl-butoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:464.12174930
Heavy Atom Count:32
Complexity:860

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(CCOC1=C(C=NN(C1=O)C2=CC(=C(C=C2)F)F)C3=CC=C(C=C3)S(=O)(=O)C)O

Technology Process of 2-(3,4-Difluorophenyl)-4-(3-hydroxy-3-methyl-butoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one

There total 7 articles about 2-(3,4-Difluorophenyl)-4-(3-hydroxy-3-methyl-butoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one 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: 85.0%

: 2-(3,4-difluorophenyl)-4-(3-hydroxy-3-methylbutoxy)-5-(4-methylsulfanylphenyl)-2H-pyridazin-3-one

: 266320-83-6
2-(3,4-difluorophenyl)-4-(3-hydroxy-3-methylbutoxy)-5-[4-(methylsulfonyl)phenyl]-3(2H)-pyridazinone

Guidance literature:: With Oxone; water; In acetone; at 5 - 12 ℃; Reagent/catalyst; Solvent; Temperature; Time; Inert atmosphere; Large scale;
DOI:10.1021/op060016v

Reference yield:

: 3863-11-4
3,4-difluoroaniline

: 266320-83-6
2-(3,4-difluorophenyl)-4-(3-hydroxy-3-methylbutoxy)-5-[4-(methylsulfonyl)phenyl]-3(2H)-pyridazinone

Guidance literature:: Multi-step reaction with 5 steps

1.1: sodium nitrite; hydrogen bromide / water / 1 h / -10 - -5 °C / Inert atmosphere

1.2: 2 h / -10 - -5 °C / Inert atmosphere

2.1: water / Inert atmosphere; Reflux

3.1: sodium hexamethyldisilazane / tetrahydrofuran / -20 °C / Large scale

3.2: -20 °C / Large scale

4.1: palladium diacetate; triphenylphosphine; potassium phosphate; dipotassium hydrogen phosphate / 3.5 h / 70 - 75 °C / Inert atmosphere

5.1: Oxone; water / acetone / 5 - 12 °C / Inert atmosphere; Large scale

With Oxone; potassium phosphate; dipotassium hydrogen phosphate; water; hydrogen bromide; palladium diacetate; sodium hexamethyldisilazane; triphenylphosphine; sodium nitrite; In tetrahydrofuran; water; acetone; 4.1: |Suzuki Coupling;
DOI:10.1021/op060016v

Reference yield:

: 221031-08-9
4,5-dibromo-2-(3,4-difluorophenyl)-2H-pyridazin-3-one

: 266320-83-6
2-(3,4-difluorophenyl)-4-(3-hydroxy-3-methylbutoxy)-5-[4-(methylsulfonyl)phenyl]-3(2H)-pyridazinone

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium hexamethyldisilazane / tetrahydrofuran / -20 °C / Large scale

1.2: -20 °C / Large scale

2.1: palladium diacetate; triphenylphosphine; potassium phosphate; dipotassium hydrogen phosphate / 3.5 h / 70 - 75 °C / Inert atmosphere

3.1: Oxone; water / acetone / 5 - 12 °C / Inert atmosphere; Large scale

With Oxone; potassium phosphate; dipotassium hydrogen phosphate; water; palladium diacetate; sodium hexamethyldisilazane; triphenylphosphine; In tetrahydrofuran; acetone; 2.1: |Suzuki Coupling;
DOI:10.1021/op060016v