C₄₆H₅₂FN₇O₇

Base Information

• Chemical Name: C₄₆H₅₂FN₇O₇
• CAS No.: 1446139-12-3
• Molecular Formula: C₄₆H₅₂FN₇O₇
• Molecular Weight: 833.96
• Mol file: 1446139-12-3.mol

Synonyms:C₄₆H₅₂FN₇O₇

Chemical Property of C₄₆H₅₂FN₇O₇

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of C₄₆H₅₂FN₇O₇

There total 9 articles about C₄₆H₅₂FN₇O₇ 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:

methyl {(2S)-3-methyl-1-oxo-1-[(2S)-2-{5-[4'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)biphenyl-4-yl]-1H-imidazol-2-yl}pyrrolidin-1-yl]butan-2-yl}carbamate (1352212-61-3) + C20H23BrFN3O4 (1446138-98-2) → C46H52FN7O7 (1446139-12-3)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In ethanol; water; toluene; at 100 ℃; for 2h; Inert atmosphere;

Reference yield:

1-(2-amino-4-bromo-5-fluorophenyl)ethanone (937816-89-2) → C46H52FN7O7 (1446139-12-3)

Guidance literature:

Multi-step reaction with 5 steps

1.1: 5,5-dimethyl-1,3-cyclohexadiene / 1 h / Reflux; Molecular sieve

1.2: 8 h / Reflux

2.1: sodium hydroxide / 1,4-dioxane / 1 h / 100 °C / Inert atmosphere

3.1: hydrogenchloride / dichloromethane; 1,4-dioxane / 0.33 h / 0 - 25 °C

4.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine / dichloromethane / 12 h / 0 - 20 °C

5.1: sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / water; ethanol; toluene / 2 h / 100 °C / Inert atmosphere

With hydrogenchloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; sodium hydroxide; In 1,4-dioxane; 5,5-dimethyl-1,3-cyclohexadiene; ethanol; dichloromethane; water; toluene; 5.1: |Suzuki-Miyaura Coupling;

Reference yield:

C18H22BrFN2O4 (1446138-97-1) → C46H52FN7O7 (1446139-12-3)

Guidance literature:

Multi-step reaction with 4 steps

1: sodium hydroxide / 1,4-dioxane / 1 h / 100 °C / Inert atmosphere

2: hydrogenchloride / dichloromethane; 1,4-dioxane / 0.33 h / 0 - 25 °C

3: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine / dichloromethane / 12 h / 0 - 20 °C

4: sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / water; ethanol; toluene / 2 h / 100 °C / Inert atmosphere

With hydrogenchloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; sodium hydroxide; In 1,4-dioxane; ethanol; dichloromethane; water; toluene; 4: |Suzuki-Miyaura Coupling;

upstream raw materials:

1-(2-amino-4-bromo-5-fluorophenyl)ethanone

C₁₈H₂₂BrFN₂O₄

C₁₈H₂₀BrFN₂O₃

methyl {(2S)-3-methyl-1-oxo-1-[(2S)-2-{5-[4'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)biphenyl-4-yl]-1H-imidazol-2-yl}pyrrolidin-1-yl]butan-2-yl}carbamate