5-(2H-tetrazol-5-yl)-2-[1-(3,4,5-trichlorobenzyl)-1H-1,2,3-triazol-4-yl]pyrimidine

Base Information

• Chemical Name: 5-(2H-tetrazol-5-yl)-2-[1-(3,4,5-trichlorobenzyl)-1H-1,2,3-triazol-4-yl]pyrimidine
• CAS No.: 1213234-96-8
• Molecular Formula: C₁₄H₈Cl₃N₉
• Molecular Weight: 408.637
• Mol file: 1213234-96-8.mol

Synonyms:5-(2H-tetrazol-5-yl)-2-[1-(3,4,5-trichlorobenzyl)-1H-1,2,3-triazol-4-yl]pyrimidine

Chemical Property of 5-(2H-tetrazol-5-yl)-2-[1-(3,4,5-trichlorobenzyl)-1H-1,2,3-triazol-4-yl]pyrimidine

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 5-(2H-tetrazol-5-yl)-2-[1-(3,4,5-trichlorobenzyl)-1H-1,2,3-triazol-4-yl]pyrimidine

There total 12 articles about 5-(2H-tetrazol-5-yl)-2-[1-(3,4,5-trichlorobenzyl)-1H-1,2,3-triazol-4-yl]pyrimidine 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-[1-(3,4,5-trichlorobenzyl)-1H-1,2,3-triazol-4-yl]pyrimidine-5-carbonitrile (1213234-95-7) → 5-(2H-tetrazol-5-yl)-2-[1-(3,4,5-trichlorobenzyl)-1H-1,2,3-triazol-4-yl]pyrimidine (1213234-96-8)

Guidance literature:

2-[1-(3,4,5-trichlorobenzyl)-1H-1,2,3-triazol-4-yl]pyrimidine-5-carbonitrile; With sodium azide; ammonium chloride; In N,N-dimethyl-formamide; at 100 ℃; for 1h;

With sodium hydroxide; In water; N,N-dimethyl-formamide;

With hydrogenchloride; In water; pH=1;

Reference yield:

4-(tributylstannyl)-1-(3,4,5-trichlorobenzyl)-1H-1,2,3-triazole (1213234-84-4) → 5-(2H-tetrazol-5-yl)-2-[1-(3,4,5-trichlorobenzyl)-1H-1,2,3-triazol-4-yl]pyrimidine (1213234-96-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: bis-triphenylphosphine-palladium(II) chloride / 1,4-dioxane / 3 h / 110 °C

2.1: sodium azide; ammonium chloride / N,N-dimethyl-formamide / 1 h / 100 °C

2.3: pH 1

With sodium azide; ammonium chloride; bis-triphenylphosphine-palladium(II) chloride; In 1,4-dioxane; N,N-dimethyl-formamide;

Reference yield:

4-amino-3,5-dichlorobenzoic acid (56961-25-2) → 5-(2H-tetrazol-5-yl)-2-[1-(3,4,5-trichlorobenzyl)-1H-1,2,3-triazol-4-yl]pyrimidine (1213234-96-8)

Guidance literature:

Multi-step reaction with 6 steps

1.1: lithium aluminium tetrahydride / tetrahydrofuran / 10.25 h / 0 - 60 °C

1.2: 0 °C

2.1: tert.-butylnitrite; copper dichloride / acetonitrile / 1.58 h / 20 °C

3.1: diphenyl phosphoryl azide; 1,8-diazabicyclo[5.4.0]undec-7-ene / toluene / 3.5 h / 20 °C

4.1: benzene / 10 h / 80 °C

5.1: bis-triphenylphosphine-palladium(II) chloride / 1,4-dioxane / 3 h / 110 °C

6.1: sodium azide; ammonium chloride / N,N-dimethyl-formamide / 1 h / 100 °C

6.3: pH 1

With lithium aluminium tetrahydride; sodium azide; tert.-butylnitrite; diphenyl phosphoryl azide; ammonium chloride; 1,8-diazabicyclo[5.4.0]undec-7-ene; copper dichloride; bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; 1,4-dioxane; N,N-dimethyl-formamide; toluene; acetonitrile; benzene;

upstream raw materials:

ethyl 2-chloropyrimidine-5-carboxylate

4-amino-3,5-dichlorobenzoic acid

3,4,5-trichloro-benzyl alcohol

4-amino-3,5-dichlorobenzyl alcohol

Downstream raw materials:

(5-{2-[1-(3,4,5-Trichlorobenzyl)-1H-1,2,3-triazol-4-yl]pyrimidin-5-yl}-2H-tetrazol-2-yl)acetic acid

ethyl (5-{2-[1-(3,4,5-trichlorobenzyl)-1H-1,2,3-triazol-4-yl]pyrimidin-5-yl}-2H-tetrazol-2-yl)acetate