N-(3,4-Dichloro-2-fluorophenyl)-6-methoxy-7-{[(3aR,5r,6aS)-2-methyloctahydrocyclopenta[c]pyrrol-5-yl]methoxy}-4-quinazolinamine | CAS No. 781613-23-8

N-(3,4-Dichloro-2-fluorophenyl)-6-methoxy-7-{[(3aR,5r,6aS)-2-methyloctahydrocyclopenta[c]pyrrol-5-yl]methoxy}-4-quinazolinamine

Basic Information

CAS Number

781613-23-8

Molecular Formula

C24H25Cl2FN4O2

Molecular Weight

491.39 g/mol

AD

Basic Physical Properties

Boiling Point

567.9±50.0°C at 760 mmHg

Density

1.356

CN1C[C@H]2C[C@H](C[C@H]2C1)COc3cc4c(cc3OC)c(ncn4)Nc5ccc(c(c5F)Cl)Cl

InChI

InChI=1S/C24H25Cl2FN4O2/c1-31-9-14-5-13(6-15(14)10-31)11-33-21-8-19-16(7-20(21)32-2)24(29-12-28-19)30-18-4-3-17(25)22(26)23(18)27/h3-4,7-8,12-15H,5-6,9-11H2,1-2H3,(H,28,29,30)/t13-,14-,15+

InChIKey

HVXKQKFEHMGHSL-QKDCVEJESA-N

LogP

5.794500000000005

Topological Polar Surface Area

59.510000000000005 Ų

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

652

Safety Information

View Safety Information

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

  • XL647
  • Tesevatinib
  • XL-647
  • EXEL-7647
  • KD-019
  • XL 647
  • F6XM2TN5A1
  • KD019
  • Tesevatinib [USAN:INN]
  • EXEL 7647
  • 7-[[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methoxy]-N-(3,4-dichloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine
  • KD 019
  • C24H25Cl2FN4O2
  • GTPL7944
  • BCP23438
  • 2809AH

MDL Number

MFCD23726660

FAQ

What are the physical and chemical properties of N-(3,4-Dichloro-2-fluorophenyl)-6-methoxy-7-{[(3aR,5r,6aS)-2-methyloctahydrocyclopenta[c]pyrrol-5-yl]methoxy}-4-quinazolinamine (CAS: 781613-23-8)?

N-(3,4-Dichloro-2-fluorophenyl)-6-methoxy-7-{[(3aR,5r,6aS)-2-methyloctahydrocyclopenta[c]pyrrol-5-yl]methoxy}-4-quinazolinamine is a solid with a crystalline form. Its molecular weight is approximately 606.02 g/mol. The compound has low solubility in water but is soluble in organic solvents like DMSO and acetonitrile. It is relatively stable under acidic and basic conditions but reacts with strong oxidizing agents. The compound is not flammable but requires careful handling due to its reactivity.

How is N-(3,4-Dichloro-2-fluorophenyl)-6-methoxy-7-{[(3aR,5r,6aS)-2-methyloctahydrocyclopenta[c]pyrrol-5-yl]methoxy}-4-quinazolinamine (CAS: 781613-23-8) typically synthesized?

N-(3,4-Dichloro-2-fluorophenyl)-6-methoxy-7-{[(3aR,5r,6aS)-2-methyloctahydrocyclopenta[c]pyrrol-5-yl]methoxy}-4-quinazolinamine is synthesized through multi-step organic synthesis, often involving protection of the amine group, coupling reactions, and subsequent deprotection. Highly selective catalysts such as palladium complexes are used to ensure high yield and purity. The exact synthesis route can vary based on the specific reagents and conditions chosen.

What industries use N-(3,4-Dichloro-2-fluorophenyl)-6-methoxy-7-{[(3aR,5r,6aS)-2-methyloctahydrocyclopenta[c]pyrrol-5-yl]methoxy}-4-quinazolinamine (CAS: 781613-23-8)?

N-(3,4-Dichloro-2-fluorophenyl)-6-methoxy-7-{[(3aR,5r,6aS)-2-methyloctahydrocyclopenta[c]pyrrol-5-yl]methoxy}-4-quinazolinamine is primarily used in the pharmaceutical industry for its potential therapeutic applications. It may also be employed in the development of new materials for sensors and semiconductors, given its special chemical structure and reactivity.

What precautions should be taken when handling N-(3,4-Dichloro-2-fluorophenyl)-6-methoxy-7-{[(3aR,5r,6aS)-2-methyloctahydrocyclopenta[c]pyrrol-5-yl]methoxy}-4-quinazolinamine (CAS: 781613-23-8)?

When handling N-(3,4-Dichloro-2-fluorophenyl)-6-methoxy-7-{[(3aR,5r,6aS)-2-methyloctahydrocyclopenta[c]pyrrol-5-yl]methoxy}-4-quinazolinamine (CAS: 781613-23-8), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. Work in a fume hood to minimize inhalation risk. Avoid contact with skin and eyes. In case of spill, neutralize with a suitable base and dispose of according to local hazardous waste regulations. Always consult the Material Safety Data Sheet (MSDS) for detailed safety information.

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