2-(2,4-Dichloro-5-nitrophenyl)-1,2-dihydro-5-methyl-3H-1,2,4-triazol-3-one

Base Information

• Chemical Name: 2-(2,4-Dichloro-5-nitrophenyl)-1,2-dihydro-5-methyl-3H-1,2,4-triazol-3-one
• CAS No.: 100563-34-6
• Molecular Formula: C9H6Cl2N4O3
• Molecular Weight: 289.07
• Mol file: 100563-34-6.mol

Synonyms:2-(2,4-Dichloro-5-nitrophenyl)-1,2-dihydro-5-methyl-3H-1,2,4-triazol-3-one;3H-1,2,4-Triazol-3-one, 2-(2,4-dichloro-5-nitrophenyl)-2,4-dihydro-5-methyl- (9CI);

Chemical Property of 2-(2,4-Dichloro-5-nitrophenyl)-1,2-dihydro-5-methyl-3H-1,2,4-triazol-3-one

Chemical Property:

• PSA: 96.50000
• Density: 1.79
• LogP: 2.60720

Purity/Quality:

99% ^*data from raw suppliers

2-(2,4-Dichloro-5-nitrophenyl)-1,2-dihydro-5-methyl-3H-1,2,4-triazol-3-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-(2,4-Dichloro-5-nitrophenyl)-1,2-dihydro-5-methyl-3H-1,2,4-triazol-3-one

There total 3 articles about 2-(2,4-Dichloro-5-nitrophenyl)-1,2-dihydro-5-methyl-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: 98.0%

4,5-dihydro-1-(2,4-dichlorophenyl)-3-methyl-1,2,4-triazol-5(1H)-one (79604-49-2) → C9H6Cl2N4O3 (100563-34-6)

Guidance literature:

With sulfuric acid; nitric acid; at 0 - 20 ℃;

DOI:10.3390/molecules15129024

Reference yield:

2-(2-(2,4-dichlorophenyl)hydrazono)propanoic acid (103998-84-1) → C9H6Cl2N4O3 (100563-34-6)

Guidance literature:

Multi-step reaction with 2 steps

1: diphenyl phosphoryl azide; triethylamine / toluene / Reflux

2: sulfuric acid; nitric acid / 0 - 20 °C

With sulfuric acid; diphenyl phosphoryl azide; nitric acid; triethylamine; In toluene; 1: Schmidt reaction;

DOI:10.3390/molecules15129024

Reference yield:

2,4-Dichloroaniline (554-00-7,51908-09-9) → C9H6Cl2N4O3 (100563-34-6)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium nitrite / hydrogenchloride; water / 1.5 h / -9 °C / Inert atmosphere; liquid HCl

1.2: -9 - 20 °C / liquid HCl

1.3: 0.5 h / 20 °C / liquid HCl

2.1: diphenyl phosphoryl azide; triethylamine / toluene / Reflux

3.1: sulfuric acid; nitric acid / 0 - 20 °C

With sulfuric acid; diphenyl phosphoryl azide; nitric acid; triethylamine; sodium nitrite; In hydrogenchloride; water; toluene; 2.1: Schmidt reaction;

DOI:10.3390/molecules15129024

upstream raw materials:

2-(2-(2,4-dichlorophenyl)hydrazono)propanoic acid

2,4-Dichloroaniline

4,5-dihydro-1-(2,4-dichlorophenyl)-3-methyl-1,2,4-triazol-5(1H)-one

Downstream raw materials:

(E)-methyl 2-(2-((1-(2,4-dichloro-5-(ethylsulfonamido)phenyl)-3-methyl-5-oxo-1H-1,2,4-triazol-4(5H)-yl)methyl)phenyl)-2-(methoxyimino)acetate

(E)-methyl 2-(2-((1-(2,4-dichloro-5-(phenylsulfonamido)phenyl)-3-methyl-5-oxo-1H-1,2,4-triazol-4(5H)-yl)methyl)phenyl)-2-(methoxyimino)acetate

methyl 2-((1-(2,4-dichloro-5-(methylsulfonamido)phenyl)-3-methyl-5-oxo-1H-1,2,4-triazol-4(5H)-yl)methyl)phenyl(methoxy)carbamate

methyl 2-((1-(2,4-dichloro-5-(ethylsulfonamido)phenyl)-3-methyl-5-oxo-1H-1,2,4-triazol-4(5H)-yl)methyl)phenyl(methoxy)carbamate