(R)-3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2,2'-naphthol

Name: (R)-3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2,2'-naphthol
Brand: ChemScene
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CAS No. 618854-91-4
Cat. No. CS-0086975
Purity≥98%
MDL No.None

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(R)-3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2,2'-naphthol|CS-0086975

Structure of 618854-91-4

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General Information

CAS No. 618854-91-4
Cat. No. CS-0086975
Purity ≥98%
MDL No. None
Storage 4°C, protect from light, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₃₆H₂₆F₁₂O₂
Molecular Weight 718.57
Synonym(s) 3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthalene-2,2'-diol
SMILES OC1=C(C2=C(CCCC3)C3=CC(C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)=C2O)C5=C(CCCC5)C=C1C6=CC(C(F)(F)F)=CC(C(F)(F)F)=C6

Description

(R)-3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2,2'-naphthol features a sterically hindered chiral scaffold with electron-deficient aryl groups. This configuration enables robust asymmetric induction in transition-metal catalysis and stabilizes reactive intermediates under standard bench conditions.

Application

(R)-3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2,2'-naphthol serves as a sterically encumbered, electron-deficient chiral ligand scaffold. Its octahydrobiaryl core provides rigidity and defined stereochemistry, while the perfluoroaryl substituents enhance oxidative stability and influence metal coordination geometry. The molecule enables enantioselective transformations in transition-metal catalysis, particularly in asymmetric hydrogenation and cross-coupling reactions, owing to its robust functional group tolerance and ease of purification.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

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Computational Chemistry Data

TPSA 40.46
LogP 11.9316
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 3

Key Words

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(R)-3,3'-Bis[3,5-bis(trifluoromethyl)phenyl]-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2,2'-naphthol

CAS No. 618854-91-4

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