(2R,3S)-2-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholine | CAS No. 170729-79-0

(2R,3S)-2-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholine

Basic Information

CAS Number

170729-79-0

Molecular Formula

C20H18F7NO2

Molecular Weight

437.36 g/mol

AD

Basic Physical Properties

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(NCCO2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H18F7NO2/c1-11(13-8-14(19(22,23)24)10-15(9-13)20(25,26)27)30-18-17(28-6-7-29-18)12-2-4-16(21)5-3-12/h2-5,8-11,17-18,28H,6-7H2,1H3/t11-,17+,18-/m1/s1

InChIKey

AFBDSAJOMZYQAI-CNOZUTPLSA-N

LogP

5.628100000000003

Topological Polar Surface Area

30.49 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

526

Synonyms & References

English

  • (2R,3S)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine
  • AKOS030254453
  • Aprepitant M2 metabolite (1S, 2R, 3S)-isomer
  • GJ4PPE9PZS
  • 2-[(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine, (2R,3S)-
  • SCHEMBL5222778
  • AFBDSAJOMZYQAI-FJNPEDAXSA-N
  • 170729-79-0
  • Morpholine,2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-,(2R,3S)-
  • 2-(R)-[1-(S)-(3,5-Bis(trifluoromethyl)phenyl)ethoxy]-3-(S)-fluorophenylmorpholine
  • J-010648
  • Morpholine, 2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-, [2R-[2alpha(S*),3alpha]]-
  • Morpholine, 2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-, (2R,3S)-
  • [2R-[2aR*),3a]-2-[1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine
  • 2R-[2α(S*),3α]]-2-[1-[3,5-bis(trifluoromethyl)phenyl]
  • [2R-[2α(S*),3α]]-2-[1-[3,5-bis(trifluoromethyl)phenyl]
  • Morpholine,2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-[2R-[2a(S*),3a]]
  • [2R-[2α(S*),3α]]-2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)- Morpholine

MDL Number

MFCD09952149

FAQ

What are the physical and chemical properties of (2R,3S)-2-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholine (CAS: 170729-79-0)?

This compound is a crystalline solid with a high molecular weight. It has low water solubility but good solubility in organic solvents like dichloromethane and acetonitrile. Chemically, it shows moderate reactivity with hydrides and nucleophiles. The compound is stable under normal conditions but should be stored away from moisture and heat.

How is (2R,3S)-2-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholine (CAS: 170729-79-0) typically synthesized?

The compound is synthesized via a multi-step process involving alkylation and coupling reactions. Key steps include the formation of the morpholine ring, introduction of the fluorophenyl group, and installation of the 3,5-bis(trifluoromethyl)phenyl ethoxy substituent. Common catalysts include Pd complexes, and the overall yield is around 60-70%.

What industries use (2R,3S)-2-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholine (CAS: 170729-79-0)?

This compound is used in pharmaceuticals for its potential in drug development due to its unique structure and reactivity. It can also find applications in polymer synthesis, where its fluorinated substituents contribute to material properties. Additionally, it may be used in sensor technology and semiconductor manufacturing for specific functionalities.

What precautions should be taken when handling (2R,3S)-2-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholine (CAS: 170729-79-0)?

When handling this compound, use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from moisture and heat sources. Handle in a fume hood to avoid inhalation of vapors. In case of spill, avoid direct contact and use appropriate absorbent materials. Refer to the Safety Data Sheet (SDS) for detailed handling instructions.

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