(R)-6,6'-Dibromo-2,2'-bis(methoxymethoxy)-1,1'-binaphthyl

• CAS: 179866-74-1
• Catalog Number: ACM179866741-2
• Category: Other Products
• Molecular Weight: 532.22
• Molecular Formula: C24H20Br2O4
• Synonyms: (R)-(+)-6,6'-Dibromo-2,2'-bis(methoxymethoxy)-1,1'-binaphthalene
• IUPAC Name: 6-bromo-1-[6-bromo-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene
• Canonical SMILES: COCOC1=C(C2=C(C=C1)C=C(C=C2)Br)C3=C(C=CC4=C3C=CC(=C4)Br)OCOC
• InChI: UPLLZDVWXACTEG-UHFFFAOYSA-N
• InChI Key: InChI=1S/C24H20Br2O4/c1-27-13-29-21-9-3-15-11-17(25)5-7-19(15)23(21)24-20-8-6-18(26)12-16(20)4-10-22(24)30-14-28-2/h3-12H,13-14H2,1-2H3
• Boiling Point: 553.0±50.0 °C
• Melting Point: 129-133 °C(lit.)
• Appearance: Light yellow powder
• Application: An intermediate in the symmetric synthesis of BINOL-terpyridine ligands, and the starting material for the preparation of a variety of 6,6' and 3,3'-substituted BINOLS. .
• Complexity: 489
• Covalently-Bonded Unit Count: 1
• Exact Mass: 531.971g/mol
• H-Bond Acceptor: 4
• Heavy Atom Count: 30
• Isomeric SMILES: COCOC1=C(C2=C(C=C1)C=C(C=C2)Br)C3=C(C=CC4=C3C=CC(=C4)Br)OCOC
• Monoisotopic Mass: 529.973g/mol
• Optical Purity: ≥99%e.e.
• Rotatable Bond Count: 7
• Specific Rotation: +27.6°, (c= 1 in chloroform)
• Topological Polar Surface Area: 36.9A^2