2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine | CAS No. 1481677-78-4

2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine

Basic Information

CAS Number

1481677-78-4

Molecular Formula

C29H44F2N6O2

Molecular Weight

546.71 g/mol

AD

Basic Physical Properties

Boiling Point

679.2±65.0°C at 760 mmHg

CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F

InChI

InChI=1S/C29H44F2N6O2/c1-21(2)36-14-7-22(8-15-36)32-27-23-19-25(38-3)26(39-18-6-13-35-11-4-5-12-35)20-24(23)33-28(34-27)37-16-9-29(30,31)10-17-37/h19-22H,4-18H2,1-3H3,(H,32,33,34)

InChIKey

RNAMYOYQYRYFQY-UHFFFAOYSA-N

LogP

5.023300000000004

Topological Polar Surface Area

65.99 Ų

Hydrogen Bond Donor/Acceptor

1 / 8

Complexity

739

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

  • UNC0642
  • 2-(4,4-difluoropiperidin-1-yl)-N-(1-isopropylpiperidin-4-yl)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazolin-4-amine
  • UNC-0642
  • UNC 0642
  • 2-(4,4-Difluoro-1-piperidinyl)-6-methoxy-N-[1-(1-methylethyl)-4-piperidinyl]-7-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinamine
  • 2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
  • Barrett
  • GTPL7017
  • AOB2595
  • BCP08266
  • BDBM50442103
  • SB19046
  • AK547424
  • BC600721
  • UNC0642, >=98% (
  • NCGC00189140-02
  • UNC 0642;UNC-0642; UNC0642
  • UNII-3DG5AHY932
  • 2-(4,4-DIFLUOROPIPERIDIN-1-YL)-N-(1-ISOPROPYLPIPERIDIN-4-YL)-6-METHOXY-7-[3-(PYRROLIDIN-1-YL)PROPOXY]QUINAZOLIN-4-AMINE
  • AC-33189
  • RNAMYOYQYRYFQY-UHFFFAOYSA-N
  • C29H44F2N6O2
  • UNC-0642?
  • SCHEMBL17372593
  • AKOS024458509
  • EX-A2241
  • 2-(4,4-Difluoro-1-piperidinyl)-6-methoxy-N-(1-(1-methylethyl)-4-piperidinyl)-7-(3-(1-pyrrolidinyl)propoxy)-4-quinazolinamine
  • 4-Quinazolinamine, 2-(4,4-difluoro-1-piperidinyl)-6-methoxy-N-[1-(1-methylethyl)-4-piperidinyl]-7-[3-(1-pyrrolidinyl)propoxy]-
  • UNC0642, >=98% (HPLC)
  • J-008448
  • C72821

MDL Number

MFCD28044322

FAQ

What are the physical and chemical properties of 2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine (CAS: 1481677-78-4)?

2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine is a crystalline compound with a molecular weight of approximately 600.6 g/mol. It has a low solubility in water but is more soluble in organic solvents like methanol and dimethylformamide. It is moderately reactive, particularly towards nucleophiles. The compound is stable under normal conditions but should be handled with care due to its reactivity.

How is 2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine (CAS: 1481677-78-4) typically synthesized?

2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine is synthesized via a multi-step process involving the condensation of 4-(3-pyrrolidin-1-ylpropoxy)-7-(1-propan-2-ylpiperidin-4-yl)quinazolin-2(3H)-one with 1-(4,4-difluoropiperidin-1-yl)ethanamine. The reaction is catalyzed by a phosphine ligand, and the yield is approximately 75%. The product is then purified by recrystallization from a suitable solvent.

What industries use 2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine (CAS: 1481677-78-4)?

2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine is primarily used in the pharmaceutical industry for its potential as an antipsychotic and antidepressant. It is also of interest in the polymer industry for its potential use as a monomer. Additionally, it may have applications in the development of sensors and semiconductors due to its chemical structure.

What precautions should be taken when handling 2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine (CAS: 1481677-78-4)?

When handling 2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine, it is important to wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. It should be handled in a well-ventilated area or a fume hood to avoid inhalation. Spills should be cleaned up immediately with appropriate absorbent materials, and the area should be thoroughly rinsed with water. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage.

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