Etravirine-d6

Base Information

• Chemical Name: Etravirine-d6
• CAS No.: 1142096-06-7
• Molecular Formula: C20H15BrN6O
• Molecular Weight: 435.2767
• Mol file: 1142096-06-7.mol

Synonyms:4-[[6-Amino-5-bromo-2-[(4-cyanophenyl)amino]-4-pyrimidinyl]oxy]-3,5-(dimethyl-d6)benzonitrile;Etravirine-d6;R 165335-d6;TMC 125-d6;Etravirine-d8

Chemical Property of Etravirine-d6

Chemical Property:

• Melting Point: 262-263°C
• Storage Temp.: Refrigerator
• Solubility.: Acetone (Slightly), DMSO (Slightly), Chloroform and Methanol Mixture (Slightly)

Purity/Quality:

97% ^*data from raw suppliers

Etravirine-d8 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: A novel labelled HIV reverse transcriptase inhibitor useful in treatment of HIV infection. As a novel labelled HIV reverse transcriptase inhibitor,Etravirine-d8 is useful in treatment of HIV infection

Technology Process of Etravirine-d6

There total 8 articles about Etravirine-d6 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: 41.0%

4-(5-bromo-6-chloro-2-(4-cyanophenylamino)-pyrimidin-4-yloxy)-3,5-[(2)H6]dimethylbenzonitrile (1316315-43-1) → C20H9(2)H6BrN6O (1142096-06-7)

Guidance literature:

With ammonia; In 1,4-dioxane; at 150 ℃; for 24h;

DOI:10.1002/jlcr.1882

Reference yield:

4-bromo-2,6-[(2)H6]dimethylphenol (1316315-41-9) → C20H9(2)H6BrN6O (1142096-06-7)

Guidance literature:

Multi-step reaction with 3 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

3.1: ammonia / 1,4-dioxane / 24 h / 150 °C

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

DOI:10.1002/jlcr.1882

Reference yield:

2,6-[(2)H6]dimethylphenol → C20H9(2)H6BrN6O (1142096-06-7)

Guidance literature:

Multi-step reaction with 4 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

4.1: ammonia / 1,4-dioxane / 24 h / 150 °C

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

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

Refernces