3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthalene-2,2'-diol | CAS No. 618854-91-4

3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthalene-2,2'-diol

Basic Information

CAS Number

618854-91-4

Molecular Formula

C36H26F12O2

Molecular Weight

718.58 g/mol

AD

Basic Physical Properties

Melting Point

195-196 ºC

Density

1.409±0.06 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (8.6E-8 g/L) (25 ºC),

FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2cc6c(c(c2O)c3c(O)c(cc4c3CCCC4)c5cc(cc(c5)C(F)(F)F)C(F)(F)F)CCCC6

InChI

InChI=1S/C36H26F12O2/c37-33(38,39)21-9-19(10-22(15-21)34(40,41)42)27-13-17-5-1-3-7-25(17)29(31(27)49)30-26-8-4-2-6-18(26)14-28(32(30)50)20-11-23(35(43,44)45)16-24(12-20)36(46,47)48/h9-16,49-50H,1-8H2

InChIKey

IZGSABWUJQZVAQ-UHFFFAOYSA-N

LogP

11.931599999999985

Topological Polar Surface Area

40.46 Ų

Hydrogen Bond Donor/Acceptor

2 / 2

Synonyms & References

English

  • (R)-3,3'-bis3,5-bis(trifluoromethyl)phenyl)-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2,2'-naphthol
  • 3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octa hydro-1,1'-binaphthalene-2,2'-diol
  • (R)-3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2,2'-naphthol

MDL Number

MFCD31560041

FAQ

What are the physical and chemical properties of 3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthalene-2,2'-diol (CAS: 618854-91-4)?

The compound has a crystalline form with a high melting point. Its molecular weight is approximately 698.24 g/mol. It has low solubility in water but is soluble in organic solvents such as dichloromethane and acetonitrile. Chemically, it is reactive towards nucleophiles and electrophiles, showing good stability under neutral and basic conditions.

How is 3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthalene-2,2'-diol (CAS: 618854-91-4) typically synthesized?

This compound is typically synthesized through a multi-step process involving the coupling of naphthalene derivatives with triflic anhydride under appropriate conditions. The reaction is catalyzed by a palladium complex and proceeds with good yields. The overall process requires careful control of temperature and solvent to achieve high selectivity and purity.

What industries use 3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthalene-2,2'-diol (CAS: 618854-91-4)?

This compound is used in the pharmaceutical industry for its unique electronic properties and potential as a drug candidate. It also finds applications in the development of advanced materials for sensors and semiconductors due to its high stability and specific electronic characteristics.

What precautions should be taken when handling 3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthalene-2,2'-diol (CAS: 618854-91-4)?

When handling this compound, use appropriate personal protective equipment (PPE) such as gloves and lab coat. Work in a well-ventilated area or a fume hood. Ensure proper storage in a sealed container away from moisture and heat. In case of spill, handle carefully using appropriate cleanup procedures and consult the Safety Data Sheet (SDS) for detailed instructions.

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