2,2'-((1,1'-Biphenyl)-4,4'-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)

C24H32B2O4CAS 207611-87-8406.14 g/mol

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BOOBOO
Boronic ester

Properties

Molecular formula
C24H32B2O4
Molar mass
406.14 g/mol
Exact mass
406.2487 Da
logP
3.95Crippen estimate
Polar surface area
36.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
207611-87-8
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=CC=C(C=C3)B4OC(C(O4)(C)C)(C)C
InChIKey
INNVTCAYPFZCAL-UHFFFAOYSA-N
InChI
InChI=1S/C24H32B2O4/c1-21(2)22(3,4)28-25(27-21)19-13-9-17(10-14-19)18-11-15-20(16-12-18)26-29-23(5,6)24(7,8)30-26/h9-16H,1-8H3

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Names and synonyms

1 names
  • 4,4'-Biphenyldiboronic acid dipinacol ester

Work with 2,2'-((1,1'-Biphenyl)-4,4'-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2'-(1,4-Phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)99770-93-186 % similar 2-(4-Biphenylyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane144432-80-484 % similar 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)toluene195062-57-869 % similar Phenylboronic acid pinacol ester24388-23-668 % similar Bis(biphenyl-4-yl)[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]amine952431-30-068 % similar 2-(4-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane214360-58-467 % similar 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline214360-73-367 % similar 4-Hydroxyphenylboronic acid pinacol ester269409-70-367 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

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