380844-49-5

Basic information

• Product Name: 7-(3-CHLORO-PROPOXY)-4-(2,4-DICHLORO-5-METHOXY-PHENYLAMINO)-6-METHOXY-QUINOLINE-3-CARBONITRILE
• Synonyms: 7-(3-CHLORO-PROPOXY)-4-(2,4-DICHLORO-5-METHOXY-PHENYLAMINO)-6-METHOXY-QUINOLINE-3-CARBONITRILE;7-(3-Chloropropoxy)-4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-3-quinolinecarbonitrile;7-(3-chloropropoxy)-4-(2,4-dichloro-5-methoxyanilino)-6-methoxyquinoline-3-carbonitrile
• CAS NO: 380844-49-5
• Molecular Formula: C₂₁H₁₈Cl₃N₃O₃
• Molecular Weight: 466.74492
• Mol File: 380844-49-5.mol
• Article Data: 8

Chemical Properties

• Melting Point: 183-186℃
• Boiling Point: 585.6±50.0 °C(Predicted)
• Appearance: /
• Density: 1.43
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility: Chloroform (Slightly, Sonicated), DMSO (Slightly)
• PKA: 3.71±0.50(Predicted)
• CAS DataBase Reference: 7-(3-CHLORO-PROPOXY)-4-(2,4-DICHLORO-5-METHOXY-PHENYLAMINO)-6-METHOXY-QUINOLINE-3-CARBONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 7-(3-CHLORO-PROPOXY)-4-(2,4-DICHLORO-5-METHOXY-PHENYLAMINO)-6-METHOXY-QUINOLINE-3-CARBONITRILE(380844-49-5)
• EPA Substance Registry System: 7-(3-CHLORO-PROPOXY)-4-(2,4-DICHLORO-5-METHOXY-PHENYLAMINO)-6-METHOXY-QUINOLINE-3-CARBONITRILE(380844-49-5)

Safety Data

• Hazardous Substances Data: 380844-49-5(Hazardous Substances Data)

Usage

Description

7-(3-CHLORO-PROPOXY)-4-(2,4-DICHLORO-5-METHOXY-PHENYLAMINO)-6-METHOXY-QUINOLINE-3-CARBONITRILE is a complex organic compound with a quinoline core and multiple chloro and methoxy substituents. It features a chloro-propoxy group at the 7-position, a dichloro-methoxy-phenylamino group at the 4-position, and a methoxy group at the 6-position. 7-(3-CHLORO-PROPOXY)-4-(2,4-DICHLORO-5-METHOXY-PHENYLAMINO)-6-METHOXY-QUINOLINE-3-CARBONITRILE is characterized by its unique molecular structure and potential applications in various fields.

Uses

Used in Pharmaceutical Industry:
7-(3-CHLORO-PROPOXY)-4-(2,4-DICHLORO-5-METHOXY-PHENYLAMINO)-6-METHOXY-QUINOLINE-3-CARBONITRILE is used as an intermediate in the synthesis of anti-tumor agents, specifically for the green preparation of Bosutinib (B676095). It plays a crucial role in the development of cancer treatments, contributing to the advancement of pharmaceutical research and drug discovery.
Used in COVID-19 Research:
7-(3-CHLORO-PROPOXY)-4-(2,4-DICHLORO-5-METHOXY-PHENYLAMINO)-6-METHOXY-QUINOLINE-3-CARBONITRILE is also a COVID-19-related research product, indicating its potential involvement in the study and development of treatments or vaccines for the novel coronavirus. Its specific application in this context may be related to its chemical properties and interactions with biological systems, warranting further investigation and research.

Upstream product

• 92878-95-0 1-(2-methoxy-5-nitrophenoxy)-3-chloropropane 
• 846023-25-4 3-(3-chloropropoxy)-4-methoxyaniline 
• 109-70-6 1.3-chlorobromopropane 
• 263149-10-6 4-chloro-7-hydroxy-6-methoxyquinolin-3-carbonitrile 
• 65182-98-1 N-(2,4-dichloro-5-methoxybenzene)acetamide 
• 67669-19-6 N-(2,4-dichloro-5-hydroxyphenyl)acetamide 
• 621-42-1 meta-hydroxyacetanilide 
• 591-27-5 m-Hydroxyaniline 
• 1637593-19-1 3-(2-amino-4-(3-chloropropoxy)-5-methoxyphenyl)-3-oxopropanenitrile 
• 1637593-18-0 3-(4-(3-chloropropoxy)-5-methoxy-2-nitrophenyl)-3-oxopropanenitrile 
• 1160707-44-7 1-[4-(3-chloropropoxy)-5-methoxy-2-nitrophenyl]ethan-1-one 
• 58113-30-7 4-(3-chloropropoxy)-3-methoxyacetophenone 
• 498-02-2 1-(3-methoxy-4-hydroxyphenyl)ethanone 

Downstream Products

• 863030-24-4 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-{3-[4-(1-pyrrolidinyl)-1-piperidinyl]propoxy}-3-quinolinecarbonitrile 
• 380843-81-2 4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(3-(piperazin-1-yl)propoxy)quinoline-3-carbonitrile 
• 863030-25-5 7-(3-[1,4'-bipiperidin]-1'-ylpropoxy)-4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-3-quinolinecarbonitrile 

Relevant articles and documents

Bosutinib 1, 4-piperazine dimer impurity and preparation method thereof

The invention discloses a bosutinib 1, 4-piperazine dimer impurity and a synthesis process thereof, the synthesis process is simple, the purity is high, raw materials are simple and easy to obtain, the purity of the prepared finished product can reach 96%

New Synthetic Process for Bosutinib

A new and improved synthetic route to bosutinib is described on a hectogram scale. The key step is the intramolecular cyclization of a 3-(2-aminophenyl)-3-oxopropanenitrile with N,N-dimethylformamide dimethyl acetal to form the 3-cyano-4-hydroxyquinoline ring of 7-(3-chloropropoxy)-6-methoxy-4-oxo-1,4-dihydroquinoline-3-carbonitrile. A practical synthetic method to 2,4-dichloro-5-methoxyaniline is also established. Bosutinib is obtained in 18.0% yield over nine steps from acetovanillone with 98.9% purity (HPLC).