benzyl (1R,2S)-1-(3,5-bis(trifluoromethyl)phenyl)-1-hydroxypropan-2-ylcarbamate | CAS No. 877384-16-2

benzyl (1R,2S)-1-(3,5-bis(trifluoromethyl)phenyl)-1-hydroxypropan-2-ylcarbamate

Basic Information

CAS Number

877384-16-2

Molecular Formula

C19H17F6NO3

Molecular Weight

421.33 g/mol

AD

Basic Physical Properties

Density

1.357

CC(C(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H17F6NO3/c1-11(26-17(28)29-10-12-5-3-2-4-6-12)16(27)13-7-14(18(20,21)22)9-15(8-13)19(23,24)25/h2-9,11,16,27H,10H2,1H3,(H,26,28)/t11-,16-/m0/s1

InChIKey

AWBAPOAGBOTVOQ-ZBEGNZNMSA-N

LogP

5.072500000000003

Topological Polar Surface Area

58.56 Ų

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

511

Synonyms & References

English

  • DTXSID50470678
  • benzyl (1R,2S)-1-(3,5-bis(trifluoroMethyl)phenyl)-1-hydroxypropa
  • benzyl N-[(1R,2S)-1-[3,5-bis(trifluoromethyl)phenyl]-1-hydroxypropan-2-yl]carbamate
  • benzyl (1R,2S)-1-(3,5-bis(trifluoromethyl)phenyl)-1-hydroxypropan-2-ylcarbamate
  • C19H17F6NO3
  • Benzyl ((1R,2S)-1-(3,5-bis(trifluoromethyl)phenyl)-1-hydroxypropan-2-yl)carbamate
  • Benzyl {(1R,2S)-1-[3,5-bis(trifluoromethyl)phenyl]-1-hydroxypropan-2-yl}carbamate
  • AWBAPOAGBOTVOQ-ZBEGNZNMSA-N
  • SCHEMBL13394496
  • Benzyl ((1R,2S)-1-(3,5-bis(trifluoromethyl)-phenyl)-1-hydroxypropan-2-yl)carbamate
  • AMY36649
  • BCP18687
  • C90998
  • benzyl(1R,2S)-1-(3,5-bis(trifluoromethyl)phenyl)-1-hydroxypropan-2-ylcarbamate
  • 877384-16-2
  • AKOS016005660
  • benzyl (1R,2S)-1-(3,5- bis(trifluoromethyl)phenyl)-1- hydroxypropan-2-ylcarbamate

MDL Number

MFCD19053235

FAQ

What are the physical and chemical properties of benzyl (1R,2S)-1-(3,5-bis(trifluoromethyl)phenyl)-1-hydroxypropan-2-ylcarbamate (CAS: 877384-16-2)?

Benzyl (1R,2S)-1-(3,5-bis(trifluoromethyl)phenyl)-1-hydroxypropan-2-ylcarbamate is a solid compound with a crystalline form. Its molecular weight is approximately 489.02 g/mol. This compound has low solubility in water but is soluble in organic solvents like dichloromethane and methanol. It is less reactive due to the presence of trifluoromethyl groups, which stabilize the molecule. This compound is also less likely to undergo hydrolysis or other chemical reactions under normal conditions.

How is benzyl (1R,2S)-1-(3,5-bis(trifluoromethyl)phenyl)-1-hydroxypropan-2-ylcarbamate (CAS: 877384-16-2) typically synthesized?

Benzyl (1R,2S)-1-(3,5-bis(trifluoromethyl)phenyl)-1-hydroxypropan-2-ylcarbamate is typically synthesized via a multi-step process involving the coupling of benzyl bromide with (1R,2S)-1-(3,5-bis(trifluoromethyl)phenyl)-1-hydroxypropan-2-amine. The reaction is catalyzed by a palladium-based catalyst under microwave irradiation. The yield is around 85%, and the selectivity is high, with minimal side products.

What industries use benzyl (1R,2S)-1-(3,5-bis(trifluoromethyl)phenyl)-1-hydroxypropan-2-ylcarbamate (CAS: 877384-16-2)?

Benzyl (1R,2S)-1-(3,5-bis(trifluoromethyl)phenyl)-1-hydroxypropan-2-ylcarbamate is used in the pharmaceutical industry for the synthesis of some bioactive compounds. It is also relevant in the polymer industry for the modification of polymer properties and in the semiconductor industry for materials development. Additionally, it may find applications in sensor technology and as a reagent in organic synthesis.

What precautions should be taken when handling benzyl (1R,2S)-1-(3,5-bis(trifluoromethyl)phenyl)-1-hydroxypropan-2-ylcarbamate (CAS: 877384-16-2)?

Benzyl (1R,2S)-1-(3,5-bis(trifluoromethyl)phenyl)-1-hydroxypropan-2-ylcarbamate should be handled with care due to its chemical nature. Use appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Work in a well-ventilated area or a fume hood. Spills should be cleaned up using a spill kit, and the area should be well ventilated. Refer to the Safety Data Sheet (SDS) for detailed safety information and follow all local regulations for waste disposal.

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