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87100-28-5

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87100-28-5 Structure

87100-28-5 Structure
IdentificationMore
[Name]

BENZYLBORONIC ACID PINACOL ESTER
[CAS]

87100-28-5
[Synonyms]

Benzylboronic acid pinacol est
Benzylboronic acid pinacol ester 96%
2-BENZYL-4,4,5,5-TETRAMETHYL-(1,3,2)DIOXABOROLANE
2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane >
3-hydroxy-2,3-dimethylbutan-2-yl hydrogen benzylboronate
4,4,5,5-Tetramethyl-2-(phenylmethyl)-1,3,2-dioxaborolane
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(phenylmethyl)-
[Molecular Formula]

C13H19BO2
[MDL Number]

MFCD05663841
[Molecular Weight]

218.1
[MOL File]

87100-28-5.mol
Chemical PropertiesBack Directory
[Boiling point ]

65 °C0.15 mm Hg
[density ]

0.980 g/mL at 25 °C
[refractive index ]

n20/D 1.490
[Fp ]

>230 °F
[storage temp. ]

Inert atmosphere,Store in freezer, under -20°C
[form ]

clear liquid
[color ]

Colorless to Light yellow to Light orange
[Water Solubility ]

Insoluble in water.
[InChI]

InChI=1S/C13H19BO2/c1-12(2)13(3,4)16-14(15-12)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
[InChIKey]

YCNQPAVKQPLZRS-UHFFFAOYSA-N
[SMILES]

O1C(C)(C)C(C)(C)OB1CC1=CC=CC=C1
[CAS DataBase Reference]

87100-28-5(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[Hazard Codes ]

Xi
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HS Code ]

2931900090
[Storage Class]

10 - Combustible liquids
Hazard InformationBack Directory
[Uses]

Benzylboronic acid pinacol ester finds application in Pd (0)-mediated [11 C] carbonylation reaction.
[Synthesis]

The compound benzyl bromide (2 g, 11.7 mmol) was dissolved in anhydrous DMF (40 mL), and after the addition of pinacol ester of biboronic acid (4.45 g, 17.5 mmol), cuprous bromide (340 mg, 2.3 mmol), and sodium tert-butoxide (1.69 g, 17.5 mmol), it was pr
Spectrum DetailBack Directory
[Spectrum Detail]

BENZYLBORONIC ACID PINACOL ESTER(87100-28-5)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

87100-28-5(sigmaaldrich)
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