1H-1,2,4-Triazole-3-carboxylic acid,5-(4-chloro-2-methoxyphenyl)-1-(2,4-dichlorophenyl)-,methyl ester

Base Information

• Chemical Name: 1H-1,2,4-Triazole-3-carboxylic acid,5-(4-chloro-2-methoxyphenyl)-1-(2,4-dichlorophenyl)-,methyl ester
• CAS No.: 871261-01-7
• Molecular Formula: C17H12 Cl3 N3 O3
• Molecular Weight: 412.65
• Mol file: 871261-01-7.mol

Synonyms:1H-1,2,4-Triazole-3-carboxylic acid,5-(4-chloro-2-methoxyphenyl)-1-(2,4-dichlorophenyl)-,methyl ester

Chemical Property of 1H-1,2,4-Triazole-3-carboxylic acid,5-(4-chloro-2-methoxyphenyl)-1-(2,4-dichlorophenyl)-,methyl ester

Chemical Property:

• PSA: 66.24000
• LogP: 4.68970

Purity/Quality:

Safty Information:

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Technology Process of 1H-1,2,4-Triazole-3-carboxylic acid,5-(4-chloro-2-methoxyphenyl)-1-(2,4-dichlorophenyl)-,methyl ester

There total 1 articles about 1H-1,2,4-Triazole-3-carboxylic acid,5-(4-chloro-2-methoxyphenyl)-1-(2,4-dichlorophenyl)-,methyl ester 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:

2,4-Dichloroaniline (554-00-7,51908-09-9) + 2-(4-chloro-2-methoxy-benzoylamino)-malonic acid dimethyl ester (871260-57-0) → 5-(4-chloro-2-methoxy-phenyl)-1-(2,4-dichloro-phenyl)-1H-[1,2,4]triazole-3-carboxylic acid methyl ester (871261-01-7)

Guidance literature:

2,4-Dichloroaniline; 2-(4-chloro-2-methoxy-benzoylamino)-malonic acid dimethyl ester; With hydrogenchloride; acetic acid; sodium nitrite; at 0 ℃;

With sodium methylate; In methanol;

DOI:10.1016/j.bmcl.2003.12.068

Reference yield: 100.0%

5-(4-chloro-2-methoxy-phenyl)-1-(2,4-dichloro-phenyl)-1H-[1,2,4]triazole-3-carboxylic acid methyl ester (871261-01-7) → 5-(4-chloro-2-methoxy-phenyl)-1-(2,4-dichloro-phenyl)-1H-[1,2,4]triazole-3-carboxylic acid (683208-96-0)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; at 70 ℃;

DOI:10.1016/j.bmcl.2003.12.068

Reference yield:

5-(4-chloro-2-methoxy-phenyl)-1-(2,4-dichloro-phenyl)-1H-[1,2,4]triazole-3-carboxylic acid methyl ester (871261-01-7) → 5-(4-chloro-2-methoxy-phenyl)-1-(2,4-dichloro-phenyl)-1H-[1,2,4]triazole-3-carboxylic acid isopropylamide

Guidance literature:

Multi-step reaction with 3 steps

1: 100 percent / aq. NaOH / dioxane / 70 °C

2: oxalyl chloride; DMF / CH₂Cl₂

3: acetonitrile

With sodium hydroxide; oxalyl dichloride; N,N-dimethyl-formamide; In 1,4-dioxane; dichloromethane; acetonitrile;

DOI:10.1016/j.bmcl.2003.12.068

upstream raw materials:

2,4-Dichloroaniline

2-(4-chloro-2-methoxy-benzoylamino)-malonic acid dimethyl ester

Downstream raw materials:

5-(4-chloro-2-methoxy-phenyl)-1-(2,4-dichloro-phenyl)-1H-[1,2,4]triazole-3-carboxylic acid

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