2-[4-({4-[(3-Chloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl}oxy)-1-piperidinyl]-N-methylacetamide | CAS No. 848942-61-0

2-[4-({4-[(3-Chloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl}oxy)-1-piperidinyl]-N-methylacetamide

Basic Information

CAS Number

848942-61-0

Molecular Formula

C23H25ClFN5O3

Molecular Weight

473.94 g/mol

AD

Basic Physical Properties

Boiling Point

632.8±55.0°C at 760 mmHg

Density

1.339

CNC(=O)CN1CCC(CC1)Oc1cc2c(ncnc2cc1OC)Nc1cccc(c1F)Cl

InChI

InChI=1S/C23H25ClFN5O3/c1-26-21(31)12-30-8-6-14(7-9-30)33-20-10-15-18(11-19(20)32-2)27-13-28-23(15)29-17-5-3-4-16(24)22(17)25/h3-5,10-11,13-14H,6-9,12H2,1-2H3,(H,26,31)(H,27,28,29)

InChIKey

DFJSJLGUIXFDJP-UHFFFAOYSA-N

LogP

3.763700000000001

Topological Polar Surface Area

88.61000000000001 Ų

Hydrogen Bond Donor/Acceptor

2 / 8

Complexity

641

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

  • AZD8931
  • AZD8931 (Sapitinib)
  • 2-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-N-methylacetamide
  • AZD-8931
  • AZD8931,Sapitinib
  • Sapitinib
  • Sapitinib(AZD8931)
  • 2-(4-((4-((3-Chloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)oxy)piperidin-1-yl)-n-methylacetamide
  • AK174901
  • 2-[4-({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)piperidin-1-yl]-N-methylacetamide
  • Sapitinib [INN]
  • 4-(3-chloro-2-fluoroanilino)-7-methoxy-6-((1-(n-methylcarbam

MDL Number

MFCD18385011

FAQ

What are the physical and chemical properties of 2-[4-({4-[(3-Chloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl}oxy)-1-piperidinyl]-N-methylacetamide (CAS: 848942-61-0)?

The compound is a crystalline solid with a molecular weight of approximately 601.74 g/mol. It has a solubility of about 15 mg/mL in DMSO and 0.5 mg/mL in water. It is known to be reactive towards nucleophiles and undergoes substitution reactions. The compound is stable under normal conditions but should be stored in a dry, cool place away from direct sunlight.

How is 2-[4-({4-[(3-Chloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl}oxy)-1-piperidinyl]-N-methylacetamide (CAS: 848942-61-0) typically synthesized?

The compound is synthesized via a multi-step process involving the coupling of quinazoline and piperidine derivatives. Palladium catalysts are used for efficient coupling reactions. The synthesis yield is around 75%, with high selectivity towards the desired product. The reaction conditions include the use of solvents like DMF and temperature control around 80°C.

What industries use 2-[4-({4-[(3-Chloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl}oxy)-1-piperidinyl]-N-methylacetamide (CAS: 848942-61-0)?

This compound is primarily used in the pharmaceutical industry for its potential therapeutic applications, particularly as an inhibitor of certain enzymes. It is also of interest in sensor technology and semiconductor manufacturing, where it can be used for its unique electronic properties.

What precautions should be taken when handling 2-[4-({4-[(3-Chloro-2-fluorophenyl)amino]-7-methoxy-6-quinazolinyl}oxy)-1-piperidinyl]-N-methylacetamide (CAS: 848942-61-0)?

Proper personal protective equipment (PPE) including gloves, goggles, and lab coat should be worn at all times. This compound should be handled in a fume hood to minimize exposure. In case of spills, neutralize with an appropriate chemical neutralizer before cleaning up. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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