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

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Catalog Number
ACM179866741-2
Product Name
(R)-6,6'-Dibromo-2,2'-bis(methoxymethoxy)-1,1'-binaphthyl
Structure
Structure
CAS
179866-74-1
Category
Heterocyclic Organic Compound
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
Molecular Weight
532.22
Molecular Formula
C24H20Br2O4
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
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