(2S)-2-{Bis[3,5-bis(trifluoromethyl)phenyl][(trimethylsilyl)oxy]methyl}pyrrolidine | CAS No. 848821-61-4

(2S)-2-{Bis[3,5-bis(trifluoromethyl)phenyl][(trimethylsilyl)oxy]methyl}pyrrolidine

Basic Information

CAS Number

848821-61-4

Molecular Formula

C24H23F12NOSi

Molecular Weight

597.52 g/mol

AD

Basic Physical Properties

Melting Point

48-56 °C

C[Si](C)(C)OC([C@@H]1CCCN1)(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C24H23F12NOSi/c1-39(2,3)38-20(19-5-4-6-37-19,13-7-15(21(25,26)27)11-16(8-13)22(28,29)30)14-9-17(23(31,32)33)12-18(10-14)24(34,35)36/h7-12,19,37H,4-6H2,1-3H3/t19-/m0/s1

InChIKey

MOHRGTBNEJKFMB-IBGZPJMESA-N

LogP

8.608900000000004

Topological Polar Surface Area

21.259999999999998 Ų

Hydrogen Bond Donor/Acceptor

1 / 2

Safety Information

View Safety Information

Hazard Statement

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

  • (S)-2-(Bis(3,5-bis(trifluoromethyl)phenyl)((trimethylsilyl)oxy)methyl)pyrrolidine
  • (S)-2-(Bis(3,5-bis(trifluoromethyl)phenyl)-((trimethylsilyl)oxy)methyl)pyrrolidine
  • (S)-ALPHA,ALPHA-BIS(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-2-PYRROLIDINEMETHANOL TRIMETHYLSILYL ETHER
  • Pyrrolidine, 2-[bis[3,5-bis(trifluoromethyl)phenyl][(trimethylsilyl)oxy]methyl]-, (2S)-
  • Α,Α-BIS-[3,5-BIS-(TRIFLUOROMETHYL)PHENYL]-L-PROLINOL TMS ETHER
  • (S)-2-[(Bis(3,5-bis(trifluoromethyl)phenyl)trimethylsilanyloxy)methyl]pyrrolidine

MDL Number

MFCD09750447

FAQ

What are the physical and chemical properties of (2S)-2-{Bis[3,5-bis(trifluoromethyl)phenyl][(trimethylsilyl)oxy]methyl}pyrrolidine (CAS: 848821-61-4)?

(2S)-2-{Bis[3,5-bis(trifluoromethyl)phenyl][(trimethylsilyl)oxy]methyl}pyrrolidine has a crystalline form and a molecular weight of approximately 685.34 g/mol. It is poorly soluble in water but soluble in common organic solvents. Reactivity is moderate, with potential for nucleophilic substitution. It exhibits good thermal stability and is non-flammable.

How is (2S)-2-{Bis[3,5-bis(trifluoromethyl)phenyl][(trimethylsilyl)oxy]methyl}pyrrolidine (CAS: 848821-61-4) typically synthesized?

(2S)-2-{Bis[3,5-bis(trifluoromethyl)phenyl][(trimethylsilyl)oxy]methyl}pyrrolidine is synthesized through a multistep process involving protection of the pyrrolidine nitrogen, formation of the bis[3,5-bis(trifluoromethyl)phenyl] ether intermediate, and subsequent deprotection. Commonly used catalysts include trifluoromethanesulfonic acid, and the overall yield is typically around 70%. The reaction is conducted under an inert atmosphere to prevent decomposition.

What industries use (2S)-2-{Bis[3,5-bis(trifluoromethyl)phenyl][(trimethylsilyl)oxy]methyl}pyrrolidine (CAS: 848821-61-4)?

(2S)-2-{Bis[3,5-bis(trifluoromethyl)phenyl][(trimethylsilyl)oxy]methyl}pyrrolidine is primarily used in the pharmaceutical industry for the synthesis of bioactive compounds. It is also utilized in polymer science for the development of novel materials and in sensor technology for detecting specific chemical species. Its unique chemical structure makes it a valuable reagent in various academic and industrial research.

What precautions should be taken when handling (2S)-2-{Bis[3,5-bis(trifluoromethyl)phenyl][(trimethylsilyl)oxy]methyl}pyrrolidine (CAS: 848821-61-4)?

When handling (2S)-2-{Bis[3,5-bis(trifluoromethyl)phenyl][(trimethylsilyl)oxy]methyl}pyrrolidine, it is essential to wear appropriate personal protective equipment (PPE) including gloves, safety glasses, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up using appropriate absorbents and disposed of according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.

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