trans,trans-4-n-Propyl-4-[4-(trifluoromethoxy)phenyl]bicyclohexyl | CAS No. 133937-72-1

trans,trans-4-n-Propyl-4-[4-(trifluoromethoxy)phenyl]bicyclohexyl

Basic Information

CAS Number

133937-72-1

Molecular Formula

C22H31F3O

Molecular Weight

368.48 g/mol

AD

Basic Physical Properties

Solubility

Insuluble (2.5E-5 g/L) (25 ºC),

CCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C22H31F3O/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(15-13-20)26-22(23,24)25/h12-19H,2-11H2,1H3/t16-,17-,18?,19?

InChIKey

AJQMFUYBFQQAKA-POSCCBCBSA-N

LogP

7.465500000000006

Topological Polar Surface Area

9.23 Ų

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

398

Synonyms & References

English

  • 1998215-85-2
  • SCHEMBL3437337
  • 4-n-Propyl-4'-[4-(trifluoromethoxy)phenyl]bicyclohexyl
  • (1s,1'r,4r,4'r)-4-Propyl-4'-[4-(trifluoromethoxy)phenyl]-1,1'-bi(cyclohexyl)
  • SB66638
  • TRANS,TRANS-4-N-PROPYL-4'-[4-(TRIFLUOROMETHOXY)PHENYL]BICYCLOHEXYL
  • (1S,4R)-4-Propyl-4'-(4-(trifluoromethoxy)phenyl)-1,1'-bi(cyclohexane)
  • 1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene
  • 1-[(trans,trans)-4'-propyl[1,1'-bicyclo...
  • W16919
  • SCHEMBL4795540
  • 4-Propyl-4'-(4-(trifluoromethoxy)phenyl)bi(cyclohexane)
  • DTXSID40928355
  • SCHEMBL13433666
  • NS00134140
  • P2464
  • FT-0687701
  • SY121029
  • CS-0061434
  • AKOS022179369
  • 133937-72-1
  • Benzene,1-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-4-(trifluoromethoxy)-
  • DS-15505
  • 1-[(TRANS,TRANS)-4'-PROPYL[1,1'-BICYCLOHEXYL]-4-YL]-4-(TRIFLUOROMETHOXY)BENZENE
  • MFCD20488041
  • SCHEMBL4795550
  • rel-(1S,4R)-4-Propyl-4'-(4-(trifluoromethoxy)phenyl)-1,1'-bi(cyclohexane)
  • Benzene, 4-(4'-propyl[1,1'-bicyclohexyl]-4-yl)-1-(trifluoromethoxy)-
  • AJQMFUYBFQQAKA-VVPTUSLJSA-N
  • SCHEMBL4795543
  • (trans,trans)-4-Propyl-4 inverted exclamation mark -[4-(trifluoromethoxy)phenyl]-1,1 inverted exclamation mark -bi(cyclohexane)

MDL Number

MFCD20488041

FAQ

What are the physical and chemical properties of trans,trans-4-n-Propyl-4-[4-(trifluoromethoxy)phenyl]bicyclohexyl (CAS: 133937-72-1)?

The compound is a crystalline solid with a high molecular weight due to the presence of trifluoromethoxy and propyl groups. It has low water solubility and good solubility in organic solvents like dichloromethane and toluene. The compound is relatively stable under normal conditions but can react with strong bases. It has a high boiling point and low volatility.

How is trans,trans-4-n-Propyl-4-[4-(trifluoromethoxy)phenyl]bicyclohexyl (CAS: 133937-72-1) typically synthesized?

The compound is commonly synthesized via a multistep process involving the formation of a bicyclic intermediate, followed by alkylation and substitution reactions. The synthesis typically uses Lewis acids as catalysts and proceeds with high selectivity and yield under mild conditions.

What industries use trans,trans-4-n-Propyl-4-[4-(trifluoromethoxy)phenyl]bicyclohexyl (CAS: 133937-72-1)?

This compound is primarily used in the pharmaceutical industry for its potential as a medicinal agent. It also finds applications in the polymer industry for its chemical stability and in the development of sensors and semiconductors due to its unique electronic properties.

What precautions should be taken when handling trans,trans-4-n-Propyl-4-[4-(trifluoromethoxy)phenyl]bicyclohexyl (CAS: 133937-72-1)?

Proper personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat should be worn when handling this compound. Work should be conducted in a well-ventilated area or a fume hood. Spills should be handled with appropriate cleaning agents, and the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS) should be consulted for detailed spill procedures.

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