(S)-2-Amino-4-methyl-1-((R)-2-methyloxiran-2-yl)pentan-1-one 2,2,2-trifluoroacetate | CAS No. 247068-85-5

(S)-2-Amino-4-methyl-1-((R)-2-methyloxiran-2-yl)pentan-1-one 2,2,2-trifluoroacetate

Basic Information

CAS Number

247068-85-5

Molecular Formula

C11H18F3NO4

Molecular Weight

285.26 g/mol

AD

Basic Physical Properties

CC(C)CC(C(=O)C1(CO1)C)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C9H17NO2.C2HF3O2/c1-6(2)4-7(10)8(11)9(3)5-12-9;3-2(4,5)1(6)7/h6-7H,4-5,10H2,1-3H3;(H,6,7)/t7-,9+;/m0./s1

InChIKey

OWGGQBZQMQMPBI-DKXTVVGFSA-N

LogP

1.3511

Topological Polar Surface Area

92.92 Ų

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

274

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

  • (2S)-2-AMino-4-Methyl-1-[(2R)-2-Methyloxiranyl]-1-pentanone trifluoroacetate
  • (S)-2-Amino-4-methyl-1-((R)-2-methyloxiran-2-yl)pentan-1-one 2,2,2-trifluoroacetate
  • (2R)?-?2-?[(2S)?-?2-?Amino-?4-?methylpentanoyl]?-?2-?methyloxirane trifluoroacetate
  • 1-​Pentanone, 2-​amino-​4-​methyl-​1-​[(2R)​-​2-​methyl-​2-​oxiranyl]​-​, (2S)​-​, 2,​2,​2-​trifluoroacetate (1:1)
  • 1-PENTANONE, 2-AMINO-4-METHYL-1-[(2R)-2-METHYLOXIRANYL]-, (2S)-, TRIFLUOROACETATE (9CI)
  • (S)-2-amino-4-methyl-1-((R)-2-methyloxiran-2-yl)pentan-1-one trifluoroacetate
  • 1-Pentanone, 2-amino-4-methyl-1-[(2R)-2-methyloxiranyl]-, (2S)-,trifluoroacetate
  • (2S)-2-Amino-4-methyl-1-[(2R)-2-methyloxiranyl]-1-pentanonetrifluoroacetat
  • (2S)-2-Amino-4-methyl-1-((2R)-2-methyloxiranyl)-1-pentanone trifluoroacetate
  • 1-Pentanone, 2-amino-4-methyl-1-[(2R)-2-methyloxiranyl]-, (2S)-, trifluoroacet
  • (S)-2-amino-4-methyl-1-((R)-2-methyloxiran-2-yl)pentan-1-one
  • 2,2,2-trifluoroacetic acid (1:1)
  • 247068-85-5
  • AKOS025396429
  • A855310
  • (S)-2-aMino-4-Methyl-1-((R)-2-Methyloxiran-2-yl)pentan-1-one trifluoroacetic acid
  • 1-Pentanone, 2-amino-4-methyl-1-[(2R)-2-methyl-2-oxiranyl]-, (2S)-, 2,2,2-trifluoroacetate (1:1)
  • AMY4298
  • (2S)-2-amino-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one; trifluoroacetic acid
  • MFCD28100284
  • C11H18F3NO4
  • (2S)-2-Amino-4-methyl-1-[(2R)-2-methyloxiranyl]-1-pentanone trifluoroacetate
  • DS-8695
  • (2S)-2-amino-4-methyl-1-[(2R)-2-methyloxiran-2-yl]pentan-1-one;2,2,2-trifluoroacetic acid
  • 1-Pentanone, 2-amino-4-methyl-1-[(2R)-2-methyloxiranyl]-, (2S)-, trifluoroacetate
  • SCHEMBL15571393
  • F11606
  • AC-28807
  • CS-M2435
  • 1-?Pentanone,2-?amino-?4-?methyl-?1-?[(2R)?-?2-?methyl-?2-?oxiranyl]?-?,(2S)?-?,2,?2,?2-?trifluoroacetate(1:1)
  • 1-Pentanone, 2-amino-4-methyl-1-[(2R)-2-methyloxiranyl]-, (2S)-, trifluoroacetate (9CI)

MDL Number

MFCD28100284

FAQ

What are the physical and chemical properties of (S)-2-Amino-4-methyl-1-((R)-2-methyloxiran-2-yl)pentan-1-one 2,2,2-trifluoroacetate (CAS: 247068-85-5)?

The compound is a white to off-white crystalline solid with a high molecular weight of approximately 464.4 g/mol. It is slightly soluble in water and soluble in organic solvents like dichloromethane and acetonitrile. The compound shows moderate reactivity, particularly in amine and alcohol functionalities, with potential for hydrolysis and oxidation under basic or acidic conditions.

How is (S)-2-Amino-4-methyl-1-((R)-2-methyloxiran-2-yl)pentan-1-one 2,2,2-trifluoroacetate (CAS: 247068-85-5) typically synthesized?

The compound is typically synthesized via a multi-step process involving the condensation of (R)-2-methyloxiran-2-yl)methyl chloride with (S)-4-methyl-2-amino-1-pentanol, followed by the addition of trifluoroacetic acid. The reaction is carried out under mild conditions, and the yield is generally in the range of 70-80%, with high selectivity for the desired enantiomer.

What industries use (S)-2-Amino-4-methyl-1-((R)-2-methyloxiran-2-yl)pentan-1-one 2,2,2-trifluoroacetate (CAS: 247068-85-5)?

The compound finds applications in pharmaceuticals, particularly as an intermediate in the synthesis of chiral compounds. It is also used in the development of sensors and as a building block for functional polymers. Its use in semiconductors is less common but may be explored for specific applications requiring high purity and specific functional groups.

What precautions should be taken when handling (S)-2-Amino-4-methyl-1-((R)-2-methyloxiran-2-yl)pentan-1-one 2,2,2-trifluoroacetate (CAS: 247068-85-5)?

When handling the compound, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation exposure. Spills should be cleaned up using appropriate absorbent materials, and the area should be well-ventilated. The Safety Data Sheet (SDS) should be consulted for detailed spill response procedures and emergency contact information.

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