Benzoic acid, 3-[2-(2,4-difluorophenoxy)-6-oxo-6H-pyrido[1,2-b]pyridazin-5-yl]-4-Methoxy-

Base Information

• Chemical Name: Benzoic acid, 3-[2-(2,4-difluorophenoxy)-6-oxo-6H-pyrido[1,2-b]pyridazin-5-yl]-4-Methoxy-
• CAS No.: 940891-82-7
• Molecular Formula: C₂₂H₁₄F₂N₂O₅
• Molecular Weight: 424.36
• Hs Code.: 2933990090
• Mol file: 940891-82-7.mol

Synonyms:Benzoic acid, 3-[2-(2,4-difluorophenoxy)-6-oxo-6H-pyrido[1,2-b]pyridazin-5-yl]-4-Methoxy-

Chemical Property of Benzoic acid, 3-[2-(2,4-difluorophenoxy)-6-oxo-6H-pyrido[1,2-b]pyridazin-5-yl]-4-Methoxy-

Chemical Property:

• PSA: 90.13000
• LogP: 4.13880
• Storage Temp.: 2-8°C

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

3-(2-(2,4-Difluorophenoxy)-6-oxo-6H-pyrido[1,2-b]pyridazin-5-yl)-4-methoxybenzoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoic acid, 3-[2-(2,4-difluorophenoxy)-6-oxo-6H-pyrido[1,2-b]pyridazin-5-yl]-4-Methoxy-

There total 7 articles about Benzoic acid, 3-[2-(2,4-difluorophenoxy)-6-oxo-6H-pyrido[1,2-b]pyridazin-5-yl]-4-Methoxy- 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: 100.0%

methyl 3-[2-(2,4-difluorophenoxy)-6-oxo-6H-pyrido[1,2-b]pyridazin-5-yl]-4-methoxybenzoate → 3-[2-(2,4-difluorophenoxy)-6-oxo-6H-pyrido[1,2-b]pyridazin-5-yl]-4-methoxybenzoic acid (940891-82-7)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; 1-methyl-pyrrolidin-2-one; at 20 ℃; for 3h;

DOI:10.1016/j.bmcl.2012.07.040

Reference yield:

4-Methoxy-3-methylbenzoesaeure-methylester (70347-04-5) → 3-[2-(2,4-difluorophenoxy)-6-oxo-6H-pyrido[1,2-b]pyridazin-5-yl]-4-methoxybenzoic acid (940891-82-7)

Guidance literature:

Multi-step reaction with 7 steps

1.1: N-Bromosuccinimide; dibenzoyl peroxide / tetrachloromethane / Reflux

2.1: zinc / tetrahydrofuran / 2 h / 0 °C

2.2: 0.5 h / 75 °C

3.1: lithium hexamethyldisilazane / tetrahydrofuran / 0.5 h / -78 °C

4.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 0.17 h / 0 °C

5.1: 1-methyl-pyrrolidin-2-one / 0.5 h / 90 °C

6.1: caesium carbonate / 1-methyl-pyrrolidin-2-one / 1 h / 80 °C

7.1: sodium hydroxide / 1,4-dioxane; 1-methyl-pyrrolidin-2-one / 3 h / 20 °C

With 1-methyl-pyrrolidin-2-one; N-Bromosuccinimide; tetrabutyl ammonium fluoride; caesium carbonate; sodium hydroxide; lithium hexamethyldisilazane; zinc; dibenzoyl peroxide; In tetrahydrofuran; 1,4-dioxane; 1-methyl-pyrrolidin-2-one; tetrachloromethane;

DOI:10.1016/j.bmcl.2012.07.040

Reference yield:

methyl 3-(bromomethyl)-4-methoxy-benzoate → 3-[2-(2,4-difluorophenoxy)-6-oxo-6H-pyrido[1,2-b]pyridazin-5-yl]-4-methoxybenzoic acid (940891-82-7)

Guidance literature:

Multi-step reaction with 6 steps

1.1: zinc / tetrahydrofuran / 2 h / 0 °C

1.2: 0.5 h / 75 °C

2.1: lithium hexamethyldisilazane / tetrahydrofuran / 0.5 h / -78 °C

3.1: tetrabutyl ammonium fluoride / tetrahydrofuran / 0.17 h / 0 °C

4.1: 1-methyl-pyrrolidin-2-one / 0.5 h / 90 °C

5.1: caesium carbonate / 1-methyl-pyrrolidin-2-one / 1 h / 80 °C

6.1: sodium hydroxide / 1,4-dioxane; 1-methyl-pyrrolidin-2-one / 3 h / 20 °C

With 1-methyl-pyrrolidin-2-one; tetrabutyl ammonium fluoride; caesium carbonate; sodium hydroxide; lithium hexamethyldisilazane; zinc; In tetrahydrofuran; 1,4-dioxane; 1-methyl-pyrrolidin-2-one;

DOI:10.1016/j.bmcl.2012.07.040

upstream raw materials:

4-Methoxy-3-methylbenzoesaeure-methylester

methyl 3-[(6-chloropyridazin-3-yl)methyl]-4-methoxybenzoate

methyl 3-[1-(6-chloropyridazin-3-yl)-2-oxo-4-(trimethylsilyl)but-3-yn-1-yl]-4-methoxybenzoate