2-fluoro-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazole-1-yl)benzonitrile

Base Information

• Chemical Name: 2-fluoro-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazole-1-yl)benzonitrile
• CAS No.: 1073973-95-1
• Molecular Formula: C₁₇H₁₆FN₃O
• Molecular Weight: 297.332
• Mol file: 1073973-95-1.mol

Synonyms:2-fluoro-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazole-1-yl)benzonitrile

Chemical Property of 2-fluoro-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazole-1-yl)benzonitrile

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-fluoro-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazole-1-yl)benzonitrile

There total 6 articles about 2-fluoro-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazole-1-yl)benzonitrile 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: 93.0%

2-acetyldimedone (1755-15-3) + 2-fluoro-4-hydrazinobenzonitrile (129946-64-1) → 2-fluoro-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazole-1-yl)benzonitrile (1073973-95-1)

Guidance literature:

With acetic acid; In 1,4-dioxane; at 50 ℃; for 8h; Solvent;

Reference yield: 50.0%

2,4-difluorobenzonitrile (3939-09-1,103496-86-2) + 3,6,6-trimethyl-1(2),5,6,7-tetrahydro-4H-indazole-4-one (16315-16-5) → 2-fluoro-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazole-1-yl)benzonitrile (1073973-95-1)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 20 ℃; for 14h;

Reference yield:

2,4-difluorobenzonitrile (3939-09-1,103496-86-2) + 2-acetyldimedone (1755-15-3) → 2-fluoro-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazole-1-yl)benzonitrile (1073973-95-1) + 4-fluoro-2-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzonitrile

Guidance literature:

2,4-difluorobenzonitrile; With hydrazine hydrate; In methanol; at 20 ℃; for 16h;

2-acetyldimedone; With acetic acid; In methanol; at 20 ℃; for 72h;

DOI:10.1016/j.bmc.2012.03.043

upstream raw materials:

2,4-difluorobenzonitrile

2-acetyldimedone

2-fluoro-4-hydrazinobenzonitrile

dimedone

Downstream raw materials:

(S)-2-(tetrahydrofuran-3-ylamino)-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzonitrile

2-((19-amino-4,7,10,13,16-pentaoxanonadecyl)amino)-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzamide

2-((3-(2-(2-(3-aminopropoxy)ethoxy)ethoxy)propyl)-amino)-4-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzamide

C₄₆H₆₂N₈O₉