Basic information Reactions Safety Supplier Related

(S)-(-)-6,6'-Dibromo-1,1'-bi-2-naphthol

Basic information Reactions Safety Supplier Related

(S)-(-)-6,6'-Dibromo-1,1'-bi-2-naphthol Basic information

Product Name:
(S)-(-)-6,6'-Dibromo-1,1'-bi-2-naphthol
Synonyms:
  • 6'-DIBROMO-1,1'-BI-2-NAPHTHOL
  • (+/-)-6,6'-DIBROMO-2,2'-DIHYDROXY-1,1'-BINAPHTHYL
  • (+/-)-6,6'-DIBROMO-1,1'-BI-2-NAPHTHOL
  • 6,6'-DIBROMO-1,1'-BI-2-NAPHTHOL
  • AURORA KA-7214
  • (R)-(-)-6,6'-DIBROMO-2,2'-DIHYDROXY-1,1'-BINAPHTHYL
  • (R)-(-)-6,6'-DIBROMO-1,1'-BI-NAPHTHOL
  • (R)-(-)-6,6'-DIBROMO 1,1'-BL-2-NAPHTHOL
CAS:
80655-81-8
MF:
C20H12Br2O2
MW:
444.12
EINECS:
632-860-3
Product Categories:
  • BINOL Series
  • Chiral Oxygen
  • Asymmetric Synthesis
  • Synthetic Organic Chemistry
  • chiral
  • blocks
  • Bromides
  • Privileged Ligands and Complexes
  • BINOLs
  • Chiral Catalysts, Ligands, and Reagents
Mol File:
80655-81-8.mol
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(S)-(-)-6,6'-Dibromo-1,1'-bi-2-naphthol Chemical Properties

Melting point:
195-199 °C(lit.)
Boiling point:
546.2±45.0 °C(Predicted)
Density 
1.5428 (rough estimate)
refractive index 
1.4947 (estimate)
storage temp. 
Inert atmosphere,Room Temperature
solubility 
slightly sol. in Tetrahydrofuran
form 
powder to crystal
pka
7.78±0.50(Predicted)
color 
White to Light yellow to Light orange
optical activity
[α]20/D +49°, c = 1.8 in THF
CAS DataBase Reference
80655-81-8(CAS DataBase Reference)
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Safety Information

Hazard Codes 
Xi,Xn
Risk Statements 
36/37/38-22
Safety Statements 
26-36-37/39
WGK Germany 
3
HS Code 
29081990

MSDS

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(S)-(-)-6,6'-Dibromo-1,1'-bi-2-naphthol Usage And Synthesis

Reactions

  • Ligand used to prepare a chiral zirconium catalyst useful in asymmetric Strecker reactions.
  • Ligand used in the zinc-catalyzed enantioselective Hetero Diels-Alder reaction.
  • Ligand used in asymmetric Friedel-Crafts reactions of pyrroles with glyoxylates. 

Chemical Properties

white to light yellow crystal powde

Uses

(S)-(+)-6,6′-Dibromo-1,1′-bi-2-naphthol may be used in the synthesis of (2R,3S)-3-phenylisoserine hydrochloride. It may also be used in the synthesis of BINOL-derived chiral ligands with aryl substituents in the 6,6-positions. [BINOL=1,1′-bi-2-naphthol]

General Description

(S)-(+)-6,6′-Dibromo-1,1′-bi-2-naphthol is an aromatic chiral Bronsted acid.

Synthesis

18531-99-2

13185-00-7

General procedure for the synthesis of (S)-6,6'-dibromo-1,1'-bi-2-naphthol from (S)-1,1'-bi-2-naphthol: (S)-BINOL (7.20 g, 25.0 mmol, 1.0 eq.) was suspended in dichloromethane (250 mL) at -78 °C. A solution of bromine (3.9 mL, 34.0 mmol, 1.4 eq.) in dichloromethane (40 mL) was added slowly dropwise to the reaction mixture (dropwise time 20-30 min) and stirring was continued at -78 °C for 15 min. The reaction mixture was allowed to warm up slowly to room temperature and the progress of the reaction was monitored by thin layer chromatography (TLC) (about 3 hours) until the reaction was complete. The reaction was quenched by the addition of saturated aqueous sodium thiosulfate (50 mL) and the aqueous layer was extracted with ethyl acetate (3 x 50 mL). The organic layers were combined, dried with anhydrous magnesium sulfate, filtered and concentrated under reduced pressure to remove the solvent. The product was recrystallized by dichloromethane/pentane to afford (S)-6,6'-dibromo-1,1'-bian-2-naphthol as a white solid (10.34 g, 23.3 mmol, 93% yield).1H NMR (300 MHz, CDCl3) δ: 8.03 (d, J = 1.9 Hz, 2H), 7.87 (d, J = 9.0 Hz, 2H), 7.45-7.35 (m, 4H), 6.94 (d, J = 9.0 Hz, 2H), 5.00 (bs, 2H). 13C NMR (75 MHz, CDCl3) δ: 153.0, 131.9, 130.8, 130.7, 130.6, 130.4, 125.9, 119.0, 118.0, 110.7. The analytical data are in agreement with the literature.

References

[1] Journal of the American Chemical Society,
[2] Journal of the American Chemical Society, 2009, vol. 131, p. 3621 - 3630
[3] Angewandte Chemie - International Edition, 2002, vol. 41, # 7, p. 1159 - 1162
[4] Chemical Communications, 2010, vol. 46, # 27, p. 4911 - 4913
[5] Chemical Communications, 2012, vol. 48, # 54, p. 6851 - 6853

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