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4,4,5,5-Tetramethyl-2-(2-(naphthalen-2-yl)phenyl)-1,3,2-dioxaborolane

HCID 58321129
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Basic information

CAS
1062555-59-2
Standard SMILES
CC1(C)OB(c2ccccc2-c2ccc3ccccc3c2)OC1(C)C
InChIKey
LIBLLUMMNMOCMY-UHFFFAOYSA-N
Molecular formula
C22H23BO2
Average molar mass
330.2 g/mol
Monoisotopic mass
330.1791101

Names & identifiers

Preferred name
4,4,5,5-Tetramethyl-2-(2-(naphthalen-2-yl)phenyl)-1,3,2-dioxaborolane
IUPAC
4,4,5,5-tetramethyl-2-(2-naphthalen-2-ylphenyl)-1,3,2-dioxaborolane
English name
4,4,5,5-TetraMethyl-2-(2-(naphthalen-2-yl)phenyl)-1,3,2-dioxaborolane
Molecular formula
C22H23BO2
Molecular weight
330.23

Names & synonyms

1062555-59-24,4,5,5-Tetramethyl-2-(2-(naphthalen-2-yl)phenyl)-1,3,2-dioxaborolane4,4,5,5-Tetramethyl-2-[2-(naphthalen-2-yl)phenyl]-1,3,2-dioxaborolane4,4,5,5-tetramethyl-2-(2-naphthalen-2-ylphenyl)-1,3,2-dioxaborolaneMFCD22421637SCHEMBL12560678SCHEMBL31189363DTXSID90729096(2-(NAPHTHALEN-2-YL)PHENYL)BORONIC ACID PINACOL ESTERAKOS015998996DS-1901DB-305168
Show more names
CS-01756702-(2-Naphthyl)phenylboronic acid pinacol ester4,4,5,5-Tetramethyl-2-(2-(naphthalen-2-yl)F2134461,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[2-(2-naphthalenyl)phenyl]-4,4,5,5-tetramethyl-2-[2-(2-naphthyl)phenyl]-1,3,2-dioxaborolane

Database identifiers

CAS
1062555-59-2
PubChem CID
58321129
DTXSID
DTXSID90729096

Properties

Computed structural properties

Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
25
Formal charge
0
Complexity
459

Physicochemical properties

Boiling point
478.7 · 478.7±24.0 °C(Predicted)
Density
1.1 · 1.10±0.1 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C

Chemistry & industry

Upstream & downstream products

Upstream raw materials

2-(2-bromophenyl)naphthalenePinacolboraneTriethylamine[1,3-Bis(diphenylphosphino)propane]nickel(II) chlorideToluene

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