5-(4-chlorophenyl)-4-(3,3,3-trifluoro-2-oxopropyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

Base Information

• Chemical Name: 5-(4-chlorophenyl)-4-(3,3,3-trifluoro-2-oxopropyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
• CAS No.: 1228650-23-4
• Molecular Formula: C₁₁H₇ClF₃N₃O₂
• Molecular Weight: 305.644
• Mol file: 1228650-23-4.mol

Synonyms:5-(4-chlorophenyl)-4-(3,3,3-trifluoro-2-oxopropyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

Chemical Property of 5-(4-chlorophenyl)-4-(3,3,3-trifluoro-2-oxopropyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 5-(4-chlorophenyl)-4-(3,3,3-trifluoro-2-oxopropyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

There total 3 articles about 5-(4-chlorophenyl)-4-(3,3,3-trifluoro-2-oxopropyl)-2,4-dihydro-3H-1,2,4-triazol-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:

[3-(4-chlorophenyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]acetic acid (1228650-22-3) + trifluoroacetic anhydride (407-25-0) → 5-(4-chlorophenyl)-4-(3,3,3-trifluoro-2-oxopropyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (1228650-23-4) + 5-(4-chlorophenyl)-4-(3,3,3-trifluoro-2,2-dihydroxypropyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (1228650-24-5)

Guidance literature:

[3-(4-chlorophenyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]acetic acid; trifluoroacetic anhydride; In pyridine; at 35 ℃; for 0.5h; Inert atmosphere;

With hydrogenchloride; at 70 ℃;

Reference yield:

4-chlorobenzoic acid hydrazide (536-40-3) → 5-(4-chlorophenyl)-4-(3,3,3-trifluoro-2-oxopropyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (1228650-23-4) + 5-(4-chlorophenyl)-4-(3,3,3-trifluoro-2,2-dihydroxypropyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (1228650-24-5)

Guidance literature:

Multi-step reaction with 3 steps

1.1: tetrahydrofuran / 20 - 50 °C

2.1: sodium hydroxide; water / Reflux

2.2: pH 1

3.1: pyridine / 0.5 h / 35 °C / Inert atmosphere

3.2: 70 °C

With water; sodium hydroxide; In tetrahydrofuran; pyridine;

Reference yield:

ethyl N-({2-[(4-chlorophenyl)carbonyl]hydrazinyl}carbonyl)glycinate (1228650-21-2) → 5-(4-chlorophenyl)-4-(3,3,3-trifluoro-2-oxopropyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (1228650-23-4) + 5-(4-chlorophenyl)-4-(3,3,3-trifluoro-2,2-dihydroxypropyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (1228650-24-5)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydroxide; water / Reflux

1.2: pH 1

2.1: pyridine / 0.5 h / 35 °C / Inert atmosphere

2.2: 70 °C

With water; sodium hydroxide; In pyridine;

upstream raw materials:

[3-(4-chlorophenyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]acetic acid

trifluoroacetic anhydride

4-chlorobenzoic acid hydrazide

ethyl N-({2-[(4-chlorophenyl)carbonyl]hydrazinyl}carbonyl)glycinate

Downstream raw materials:

methyl {3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate

methyl {3-(4-chlorophenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate

{3-(4-chlorophenyl)-5-oxo-4-[(2,S)-3,3,3-trifluoro-2-hydroxypropyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetic acid

methyl {3-(4-chlorophenyl)-5-oxo-4-[(1E)-3,3,3-trifluoroprop-1-en-1-yl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate