4-(5-bromo-6-chloro-2-(4-cyanophenylamino)-pyrimidin-4-yloxy)-3,5-[⁽²⁾H₆]dimethylbenzonitrile

Base Information

• Chemical Name: 4-(5-bromo-6-chloro-2-(4-cyanophenylamino)-pyrimidin-4-yloxy)-3,5-[⁽²⁾H₆]dimethylbenzonitrile
• CAS No.: 1316315-43-1
• Molecular Formula: C₂₀H₁₃BrClN₅O
• Molecular Weight: 460.665
• Mol file: 1316315-43-1.mol

Synonyms:4-(5-bromo-6-chloro-2-(4-cyanophenylamino)-pyrimidin-4-yloxy)-3,5-[⁽²⁾H₆]dimethylbenzonitrile

Chemical Property of 4-(5-bromo-6-chloro-2-(4-cyanophenylamino)-pyrimidin-4-yloxy)-3,5-[⁽²⁾H₆]dimethylbenzonitrile

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4-(5-bromo-6-chloro-2-(4-cyanophenylamino)-pyrimidin-4-yloxy)-3,5-[⁽²⁾H₆]dimethylbenzonitrile

There total 7 articles about 4-(5-bromo-6-chloro-2-(4-cyanophenylamino)-pyrimidin-4-yloxy)-3,5-[⁽²⁾H₆]dimethylbenzonitrile 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: 83.6%

4-hydroxy-3,5-[(2)H6]dimethylbenzonitrile (1316315-42-0) + 4-[[(5-bromo-4,6-dichloro)-2-pyrimidinyl]amino]benzonitrile (269055-75-6) → 4-(5-bromo-6-chloro-2-(4-cyanophenylamino)-pyrimidin-4-yloxy)-3,5-[(2)H6]dimethylbenzonitrile (1316315-43-1)

Guidance literature:

4-hydroxy-3,5-[⁽²⁾H₆]dimethylbenzonitrile; With sodium hydride; In 1,4-dioxane; at 20 ℃; for 0.0333333h;

With 1-methyl-pyrrolidin-2-one; In 1,4-dioxane; at 20 ℃; for 0.166667h;

4-[[(5-bromo-4,6-dichloro)-2-pyrimidinyl]amino]benzonitrile; In 1,4-dioxane; at 155 ℃; for 6h;

DOI:10.1002/jlcr.1882

Reference yield:

4-bromo-2,6-[(2)H6]dimethylphenol (1316315-41-9) → 4-(5-bromo-6-chloro-2-(4-cyanophenylamino)-pyrimidin-4-yloxy)-3,5-[(2)H6]dimethylbenzonitrile (1316315-43-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: N,N-dimethyl-formamide / 5 h / 154 °C

2.1: sodium hydride / 1,4-dioxane / 0.03 h / 20 °C

2.2: 0.17 h / 20 °C

2.3: 6 h / 155 °C

With sodium hydride; In 1,4-dioxane; N,N-dimethyl-formamide;

DOI:10.1002/jlcr.1882

Reference yield:

2,6-[(2)H6]dimethylphenol → 4-(5-bromo-6-chloro-2-(4-cyanophenylamino)-pyrimidin-4-yloxy)-3,5-[(2)H6]dimethylbenzonitrile (1316315-43-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: bromine; acetic acid / 0.33 h / 20 °C / Cooling with ice

2.1: N,N-dimethyl-formamide / 5 h / 154 °C

3.1: sodium hydride / 1,4-dioxane / 0.03 h / 20 °C

3.2: 0.17 h / 20 °C

3.3: 6 h / 155 °C

With bromine; sodium hydride; acetic acid; In 1,4-dioxane; N,N-dimethyl-formamide;

DOI:10.1002/jlcr.1882

upstream raw materials:

4-bromo-2,6-[⁽²⁾H₆]dimethylphenol

4-hydroxy-3,5-[⁽²⁾H₆]dimethylbenzonitrile

4-[[(5-bromo-4,6-dichloro)-2-pyrimidinyl]amino]benzonitrile

1-(methoxymethoxy)-2-[⁽²⁾H₃]methylbenzene

Downstream raw materials:

C₂₀H₉⁽²⁾H₆BrN₆O