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4,4'-Biphenyldiboronic acid bis(neopentyl) ester

Catalog NumberACM5487934-2

CAS Number5487-93-4

CategorySalt; Synthetic Tools and Reagents

4,4'-Biphenyldiboronic acid bis(neopentyl) ester
Synonyms
4,4'-Bis-(5,5-dimethyl-[1,3,2]dioxaborinane-2-yl)-biphenyl
IUPAC Name
2-[4-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]phenyl]-5,5-dimethyl-1,3,2-dioxaborinane
Molecular Weight
378.1g/mol
Molecular Formula
C22H28B2O4
Canonical SMILES
CC1(C)COB(OC1)c2ccc(cc2)-c3ccc(cc3)B4OCC(C)(C)CO4
InChI
1S/C22H28B2O4/c1-21(2)13-25-23(26-14-21)19-9-5-17(6-10-19)18-7-11-20(12-8-18)24-27-15-22(3,4)16-28-24/h5-12H,13-16H2,1-4H3
InChI Key
NJXUWONHNYJPMY-UHFFFAOYSA-N
Melting Point
241-245 °C
Storage
room temp
Assay
0.97
Complexity
445
Covalently-Bonded Unit Count
1
Exact Mass
378.21737g/mol
Formal Charge
0
Heavy Atom Count
28
MDL Number
MFCD01318103
Monoisotopic Mass
378.21737g/mol
Packaging
1 g in glass bottle
Rotatable Bond Count
3
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