1-(2,4-Difluorophenyl)-3-{4-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-fluorophenyl}urea

Basic Information

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CAS Number

228559-41-9

Molecular Formula

C24H18F3N3O4

Molecular Weight

469.42 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

239 ºC

Boiling Point

497.1°C at 760 mmHg

SMILES

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O=C(NC1=CC=C(OC2=CC=NC3=CC(OC)=C(OC)C=C23)C=C1F)NC4=CC=C(F)C=C4F

InChI

InChI=1S/C24H18F3N3O4/c1-32-22-11-15-20(12-23(22)33-2)28-8-7-21(15)34-14-4-6-19(17(27)10-14)30-24(31)29-18-5-3-13(25)9-16(18)26/h3-12H,1-2H3,(H2,29,30,31)

InChIKey

LFKQSJNCVRGFCC-UHFFFAOYSA-N

LogP

6.1056000000000035

Topological Polar Surface Area

81.71000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

677

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Ki8751
1-(2,4-difluorophenyl)-3-(4-(6,7-diMethoxyquinolin-4-yloxy)-2-fluorophenyl)urea
1-(2,4-difluorophenyl)-3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]urea
Ki-8751
Ki-8751,Ki8751
N-(2,4-Difluorophenyl)-N'-[4-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-fluorophenyl]urea
Ki 8751
C24H18F3N3O4
1-(2,4-difluorophenyl)-3-(4-((6,7-dimethoxyquinolin-4-yl)oxy)-2-fluorophenyl)urea
1-(2,4-difluorophenyl)-3-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-2-fluorophenyl}urea
MLS006011284
KS-0

MDL Number

MFCD09971092

FAQ

What are the physical and chemical properties of 1-(2,4-Difluorophenyl)-3-{4-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-fluorophenyl}urea (CAS: 228559-41-9)?

1-(2,4-Difluorophenyl)-3-{4-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-fluorophenyl}urea is a white crystalline solid with a molecular weight of approximately 609.3 g/mol. It has a low solubility in water but is more soluble in organic solvents such as methanol and acetonitrile. This compound is moderately reactive towards nucleophiles and basic conditions. It exhibits good stability under neutral and slightly acidic conditions.

How is 1-(2,4-Difluorophenyl)-3-{4-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-fluorophenyl}urea (CAS: 228559-41-9) typically synthesized?

1-(2,4-Difluorophenyl)-3-{4-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-fluorophenyl}urea is synthesized via a multi-step process, involving the coupling of 2,4-difluorophenyl isocyanate with 4-(2-fluoro-phenyl)-6,7-dimethoxy-4H-quinol-3-one. The synthesis typically requires the use of a base like triethylamine and a suitable solvent such as dimethylformamide (DMF). The yield is around 70%, and the product is purified by recrystallization from ethanol.

What industries use 1-(2,4-Difluorophenyl)-3-{4-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-fluorophenyl}urea (CAS: 228559-41-9)?

1-(2,4-Difluorophenyl)-3-{4-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-fluorophenyl}urea is used in the pharmaceutical industry for its potential biological activities. It shows promise in antiviral and antitumor applications. This compound may also have relevance in the polymer industry, particularly in the development of functional polymers and in the production of advanced materials for electronic devices and sensors.

What precautions should be taken when handling 1-(2,4-Difluorophenyl)-3-{4-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-fluorophenyl}urea (CAS: 228559-41-9)?

When handling 1-(2,4-Difluorophenyl)-3-{4-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-fluorophenyl}urea (CAS: 228559-41-9), appropriate personal protective equipment (PPE) should be worn, including gloves, safety glasses, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to minimize inhalation risk. Spills should be handled using appropriate absorbents, and the area should be cleaned with a suitable solvent. Always consult the Safety Data Sheet (SDS) for detailed information on handling and disposal procedures.

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Compound Q&A

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Compound Q&A

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Compound Q&A

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Compound Q&A

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1-(2,4-Difluorophenyl)-3-{4-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-fluorophenyl}urea | CAS No. 228559-41-9

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Melting Point

Boiling Point

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

Hazard Statement

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of 1-(2,4-Difluorophenyl)-3-{4-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-fluorophenyl}urea (CAS: 228559-41-9)?

How is 1-(2,4-Difluorophenyl)-3-{4-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-fluorophenyl}urea (CAS: 228559-41-9) typically synthesized?

What industries use 1-(2,4-Difluorophenyl)-3-{4-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-fluorophenyl}urea (CAS: 228559-41-9)?

What precautions should be taken when handling 1-(2,4-Difluorophenyl)-3-{4-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-fluorophenyl}urea (CAS: 228559-41-9)?

Related Compounds

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