189956-45-4

Basic information

• Product Name: 4-N[2(4-HYDROXYPYRIMIDINYL)]AMINOBENZONITRILE
• Synonyms: 4-((4-Oxo-1,4-dihydropyriMidin-2-yl)aMino)benzonitrile;Benzonitrile, 4-[(1,4-dihydro-4-oxo-2-pyriMidinyl)aMino]-;4-[(4-Hydroxy-pyrimidin-2-yl)amino]-benzonitr;4-[(6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile;4-((4-Oxo-1,4-dihydropyrimidin-2-yl);4-N[2(4-HYDROXYPYRIMIDINYL)]AMINOBENZONITRILE;4-[(1,4-Dihydro-4-oxo-2-pyrimidinyl)amino]benzonitrile;4-[(4-Hydroxy-2-pyrimidinyl)amino]benzonitrile
• CAS NO: 189956-45-4
• Molecular Formula: C₁₁H₈N₄O
• Molecular Weight: 212.21
• Product Categories: Intermediate of Etravirine;pharmacetical
• Mol File: 189956-45-4.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 399.7 °C at 760mmHg
• Flash Point: 195.6 °C
• Appearance: /
• Density: 1.31 g/cm³
• Vapor Pressure: 1.34E-06mmHg at 25°C
• Refractive Index: 1.67
• Storage Temp.: 2-8°C
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 8.66±0.40(Predicted)
• CAS DataBase Reference: 4-N[2(4-HYDROXYPYRIMIDINYL)]AMINOBENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-N[2(4-HYDROXYPYRIMIDINYL)]AMINOBENZONITRILE(189956-45-4)
• EPA Substance Registry System: 4-N[2(4-HYDROXYPYRIMIDINYL)]AMINOBENZONITRILE(189956-45-4)

Safety Data

• Hazardous Substances Data: 189956-45-4(Hazardous Substances Data)

Usage

Description

4-N[2(4-HYDROXYPYRIMIDINYL)]AMINOBENZONITRILE is a light brown solid that serves as a key intermediate in the synthesis of 2-naphthyl substituted diarylpyrimidines (DAPY) analogues. These DAPY analogues have potential applications in various fields due to their unique chemical properties.

Uses

Used in Pharmaceutical Industry:
4-N[2(4-HYDROXYPYRIMIDINYL)]AMINOBENZONITRILE is used as a chemical intermediate for the preparation of 2-naphthyl substituted diarylpyrimidines (DAPY) analogues, which are of interest in the development of new pharmaceutical compounds. The synthesis of these DAPY analogues allows for the exploration of their potential therapeutic properties and applications in treating various medical conditions.
Used in Chemical Research:
4-N[2(4-HYDROXYPYRIMIDINYL)]AMINOBENZONITRILE is also used as a research compound in the field of organic chemistry. Its unique structure and properties make it a valuable tool for studying the synthesis and reactivity of related compounds, as well as for investigating the potential applications of DAPY analogues in various industries.

InChI:InChI=1/C11H8N4O/c12-7-8-1-3-9(4-2-8)14-11-13-6-5-10(16)15-11/h1-6H,(H2,13,14,15,16)

Upstream product

• 999-59-7 methyl 3-(N,N-dimethylamino)-2-propenoate 
• 5637-42-3 1-(4-cyanophenyl)guanidine 
• 924-99-2 ethyl 3-(dimethylamino)acrylate 
• 5751-20-2 2-Methylthiouracil 
• 873-74-5 4-Aminobenzonitrile 
• 1228671-28-0 4-((4-methoxypyrimidin-2-yl)amino)benzonitrile 
• 5751-20-2 2-(methylsulfanyl)pyrimidin-4-ol 

Downstream Products

• 500287-72-9 rilpivirine 
• 700361-47-3 Rilpivirine hydrochloride 
• 269055-46-1 4-[[5-bromo-6-[(4-cyano-2,6-dimethylphenyl)amino]-2-pyrimidinyl]-amino]benzonitrile 
• 269055-04-1 4-[[5-bromo-4-(4-cyano-2,6-dimethylphenoxy)-2-pyrimidinyl]-amino]benzonitrile 
• 269055-22-3 4-[5-bromo-4-(2,4,6-trimethyl-phenoxy)-pyrimidin-2-ylamino]-benzonitrile 
• 244767-99-5 4-((2-((4-cyanophenyl)amino)pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile 
• 374067-83-1 4-[4-(4-bromo-2,6-dimethylphenylsulfanyl)pyrimidin-2-ylamino]benzonitrile 
• 269055-72-3 4-[(5-bromo-4-chloro-2-pyrimidinyl)amino]benzonitrile 
• 244768-32-9 4-[(4-chloro-2-pyrimidinyl)amino]benzonitrile 

Relevant articles and documents

Industrial synthesis method of rilpivirine and intermediate compound

The invention discloses an industrial synthesis method of rilpivirine. A compound as shown in a formula I and compound hydrochloride as shown in a formula VI react to obtain rilpivirine. The invention further discloses an intermediate compound as shown in the formula I and a synthesis method of the intermediate compound. Compared with the prior art, the synthesis method is simple to operate, mild in condition, high in yield and purity and suitable for industrial production.

4-[ (4-chloro-2-pyrimidinyl) amino] phenyl nitrile preparation method

The invention discloses a new preparation method of 4-[(4-chlorine-2-pyrimidyl)amino] cyanophenyl. The preparation method comprises the steps of carrying out a reaction on N-guanidine cyanophenyl and NN,-dimethyl amino acrylate to generate II, and then carrying out chlorination on equivalent phosphorus oxychloride to generate a target product. By adopting the preparation method, the yield and the quality of the product can be improved; the cost is reduced, and the method is simple and convenient to operate, and suitable for a synthetic route of rilpivirine bodbody in industrial production.

RILPIVIRINE HYDROCHLORIDE

The present invention provides a novel process for the preparation of rilpivirine. The present invention also provides a novel process for the preparation of rilpivirine hydrochloride. The present invention further provides a rilpivirine hydrochloride monohydrate, process for its preparation and pharmaceutical compositions comprising it.