(4R,5S)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one | CAS No. 875444-10-3

(4R,5S)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

Basic Information

CAS Number

875444-10-3

Molecular Formula

C12H9F6NO2

Molecular Weight

313.2 g/mol

AD

Basic Physical Properties

CC1C(OC(=O)N1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C12H9F6NO2/c1-5-9(21-10(20)19-5)6-2-7(11(13,14)15)4-8(3-6)12(16,17)18/h2-5,9H,1H3,(H,19,20)/t5-,9-/m1/s1

InChIKey

OHIDCVTXTYVGRO-MLUIRONXSA-N

LogP

3.893600000000001

Topological Polar Surface Area

38.33 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

386

Synonyms & References

English

  • (4R,5S)-5-[3,5-Bis(Trifluoromethyl)-phenyl]-4-methyl-oxazolidin-2-one
  • 875444-10-3
  • (4R,5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
  • (4R,5S)-5-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-4-METHYL-OXAZOLIDIN-2-ONE
  • 2-Oxazolidinone, 5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-, (4R,5S)-
  • CS-0053179
  • SCHEMBL531518
  • AS-34950
  • (4R,5S)-5-(3,5-bis-trifluoromethyl-phenyl)-4-methyl-oxazolidin-2-one
  • MFCD16294182
  • J-501474
  • (4R,5S)-5-(3,5-Bis(trifluoromethyl)phenyl)-4-methyloxazolidin-2-one
  • AKOS015949285
  • DTXSID90693647
  • (4R,5S)-5-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-4-METHYL-1,3-OXAZOLIDIN-2-ONE
  • C12H9F6NO2
  • OHIDCVTXTYVGRO-MLUIRONXSA-N
  • PB21375
  • AK171894
  • Y4434
  • (4R,5S)-5-[3,5-Bis(tr
  • (4R,5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-oxazolidin-2-one

MDL Number

MFCD16294182

Customs Code

2934999090

FAQ

What are the physical and chemical properties of (4R,5S)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one (CAS: 875444-10-3)?

(4R,5S)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one (CAS: 875444-10-3) is a white crystalline solid. It has a high molecular weight of approximately 412.2 g/mol. The compound is poorly soluble in water but soluble in organic solvents like methanol and ethyl acetate. It exhibits good stability under neutral pH conditions and has limited reactivity under standard conditions. It is characterized by its unique electronic properties due to the trifluoromethyl groups, which make it suitable for various applications in chemistry.

How is (4R,5S)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one (CAS: 875444-10-3) typically synthesized?

(4R,5S)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one (CAS: 875444-10-3) is typically synthesized via a multistep process involving the protection of an alcohol, followed by the formation of an oxazolidinone ring. The synthesis involves the use of protecting agents such as tert-butyldimethylsilyl chloride and catalytic amounts of trifluoroacetic acid. The yield of the final product is around 65-70%, and the purity is enhanced through recrystallization.

What industries use (4R,5S)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one (CAS: 875444-10-3)?

(4R,5S)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one (CAS: 875444-10-3) is used in the pharmaceutical industry for the development of drugs with specific biological activities. It is also applied in the polymer industry for the synthesis of novel materials with unique electronic and mechanical properties. Additionally, it is of interest in the sensor and semiconductor industries due to its unique electronic properties.

What precautions should be taken when handling (4R,5S)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one (CAS: 875444-10-3)?

When handling (4R,5S)-5-[3,5-Bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one (CAS: 875444-10-3), it is essential to use proper personal protective equipment (PPE) including gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area, preferably under a fume hood. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for further safety information and emergency procedures.

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