4-((4-(benzyloxy)-3-chloro-5-methoxybenzyl)(4H-1,2,4-triazol-4-yl)amino)benzonitrile

Base Information

• Chemical Name: 4-((4-(benzyloxy)-3-chloro-5-methoxybenzyl)(4H-1,2,4-triazol-4-yl)amino)benzonitrile
• CAS No.: 537677-49-9
• Molecular Formula: C₂₄H₂₀ClN₅O₂
• Molecular Weight: 445.908
• Mol file: 537677-49-9.mol

Synonyms:4-((4-(benzyloxy)-3-chloro-5-methoxybenzyl)(4H-1,2,4-triazol-4-yl)amino)benzonitrile

Chemical Property of 4-((4-(benzyloxy)-3-chloro-5-methoxybenzyl)(4H-1,2,4-triazol-4-yl)amino)benzonitrile

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4-((4-(benzyloxy)-3-chloro-5-methoxybenzyl)(4H-1,2,4-triazol-4-yl)amino)benzonitrile

There total 7 articles about 4-((4-(benzyloxy)-3-chloro-5-methoxybenzyl)(4H-1,2,4-triazol-4-yl)amino)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: 79.0%

2-benzyloxy-1-chloro-5-chloromethyl-3-methoxybenzene (536974-93-3) + 4-[N-(1,2,4-triazol-4-yl)amino]benzonitrile (148869-66-3) → 4-((4-(benzyloxy)-3-chloro-5-methoxybenzyl)(4H-1,2,4-triazol-4-yl)amino)benzonitrile (537677-49-9)

Guidance literature:

4-[N-(1,2,4-triazol-4-yl)amino]benzonitrile; With sodium hydride; In N,N-dimethyl-formamide;

2-benzyloxy-1-chloro-5-chloromethyl-3-methoxybenzene; In N,N-dimethyl-formamide; Further stages.;

DOI:10.1021/jm061462b

Reference yield:

4-fluorobenzonitrile (1194-02-1,143234-87-1) → 4-((4-(benzyloxy)-3-chloro-5-methoxybenzyl)(4H-1,2,4-triazol-4-yl)amino)benzonitrile (537677-49-9)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 38 percent / potassium tert-butoxide / dimethylsulfoxide

2.1: NaH / dimethylformamide

2.2: 79 percent / dimethylformamide

With potassium tert-butylate; sodium hydride; In dimethyl sulfoxide; N,N-dimethyl-formamide;

DOI:10.1021/jm061462b

Reference yield:

4-benzyloxy-3-chloro-5-methoxybenzoic acid benzyl ester (536974-91-1) → 4-((4-(benzyloxy)-3-chloro-5-methoxybenzyl)(4H-1,2,4-triazol-4-yl)amino)benzonitrile (537677-49-9)

Guidance literature:

Multi-step reaction with 3 steps

1.1: LiAlH₄ / tetrahydrofuran / 0 °C

2.1: 95 percent / SOCl₂ / CH₂Cl₂

3.1: NaH / dimethylformamide

3.2: 79 percent / dimethylformamide

With lithium aluminium tetrahydride; thionyl chloride; sodium hydride; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/jm061462b

upstream raw materials:

2-benzyloxy-1-chloro-5-chloromethyl-3-methoxybenzene

4-[N-(1,2,4-triazol-4-yl)amino]benzonitrile

4-benzyloxy-3-chloro-5-methoxybenzoic acid benzyl ester

4-fluorobenzonitrile

Downstream raw materials:

4-((3-chloro-4-hydroxy-5-methoxybenzyl)(4H-1,2,4-triazol-4-yl)amino)benzonitrile