ChemicalBook--->CAS DataBase List--->372521-91-0

372521-91-0

372521-91-0 Structure

372521-91-0 Structure
IdentificationBack Directory
[Name]

4-phenylnaphthalen-1-ylboronic acid
[CAS]

372521-91-0
[Synonyms]

(4-Phenylnaphthalen-1-yl)
4-phenylnaphthalen-1-ylboronic acid
1-(4-phenylnaphthalene)boronic acid
4-Phenylnaphthalene-1-boronic acid97
4-phenyl(napthalene-1-yl)boronic acid
(1-Phenylnaphthalen-4-yl)boronic acid
4-Phenylnaphthalene-1-boronicacid,98%
4-Phenylnaphthalene-1-boronic acid, 98%
B-(4-phenyl-1-naphthalenyl)boronic acid
Boronic acid, B-(4-phery-1-naphthaleny)-
Boronic acid,B-(4-phenyl-1-naphthalenyl)-
(4-(4-Phenylnaphthalen-1-yl)phenyl)boronic acid
4-Phenylnaphthalene-1-boronicAcid(containsvaryingamountsofAnhydride)>
4-Phenylnaphthalene-1-boronic Acid (contains varying amounts of Anhydride)
[Molecular Formula]

C16H13BO2
[MDL Number]

MFCD08669639
[MOL File]

372521-91-0.mol
[Molecular Weight]

248.084
Chemical PropertiesBack Directory
[Boiling point ]

449.4±48.0 °C(Predicted)
[density ]

1.23
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

Solid
[pka]

8.54±0.30(Predicted)
[color ]

White to Almost white
[InChI]

InChI=1S/C16H13BO2/c18-17(19)16-11-10-13(12-6-2-1-3-7-12)14-8-4-5-9-15(14)16/h1-11,18-19H
[InChIKey]

BSKLSKWOKGVQHF-UHFFFAOYSA-N
[SMILES]

B(C1=C2C(C=CC=C2)=C(C2=CC=CC=C2)C=C1)(O)O
[CAS DataBase Reference]

372521-91-0
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H318
[Precautionary statements ]

P280-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

41
[Safety Statements ]

26-39
[WGK Germany ]

WGK 3
[HS Code ]

2931.90.9051
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Dam. 1
Spectrum DetailBack Directory
[Spectrum Detail]

4-phenylnaphthalen-1-ylboronic acid(372521-91-0)1HNMR
Hazard InformationBack Directory
[Synthesis]

Triisopropyl borate

5419-55-6

1-Bromo-4-phenylnaphthalene

59951-65-4

4-phenylnaphthalen-1-ylboronic acid

372521-91-0

Example 1: Preparation of compound C-12 Preparation of Compound 2 [(4-phenylnaphthalen-1-yl)boronic acid] [1081] 1-bromo-4-phenylnaphthalene (Compound 1) (50 g, 176 mmol) was dissolved in anhydrous tetrahydrofuran (THF) (1 L) in a flask. The mixture was stirred at -78°C and n-butyllithium (n-BuLi) (2.5 M in hexane, 132 mL) was added slowly and dropwise. The reaction mixture was stirred at room temperature for 1 hour. Subsequently, the reaction mixture was cooled to -78°C and triisopropyl borate (61 mL, 264 mmol) was added slowly and dropwise. The reaction mixture was then stirred at room temperature for 3 hours. After completion of the reaction, extraction was carried out with ethyl acetate. The organic layer obtained from the extraction was dried with magnesium sulfate (MgSO?) and solidified by hexane to give compound 2 (30 g, 68% yield).

[References]

[1] Patent: WO2014/88290, 2014, A1. Location in patent: Paragraph 105; 106; 107; 108
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