PHENYL-D5-BORONIC ACID

Bezeichnung:PHENYL-D5-BORONIC ACID

CAS-Nr215527-70-1

Englisch Name:PHENYL-D5-BORONIC ACID

CBNumberCB0121981

SummenformelC6H7BO2

Molgewicht121.93

MOL-Datei215527-70-1.mol

PHENYL-D5-BORONIC ACID physikalisch-chemischer Eigenschaften

Schmelzpunkt	217-220 °C(lit.)
Löslichkeit	Chloroform (Slightly), DMSO
Aggregatzustand	solid
Farbe	White
Stabilität	Hygroscopic
InChI	InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
InChIKey	HXITXNWTGFUOAU-RALIUCGRSA-N
SMILES	B(C1C([H])=C([H])C([H])=C([H])C=1[H])(O)O
CAS Datenbank	215527-70-1

Sicherheit

Kennzeichnung gefährlicher	Xn
R-Sätze:	22
S-Sätze:	36
WGK Germany	3
HS Code	2931900090

Gefahreninformationscode (GHS)

PHENYL-D5-BORONIC ACID Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R22:Gesundheitsschädlich beim Verschlucken.
S-Sätze Betriebsanweisung:
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
Verwenden
Phenylboronic Acid-d5 is the isotope labelled analog of Phenylboronic Acid; a compound used in the organic synthesis of various pharmaceutical goods.
Synthese
A dry three-neck flask equipped with a rubber septum, an addition funnel equipped with a rubber septum, and a condenser was charged under nitrogen with magnesium turnings. To the addition funnel was added D5-bromobenzene (6.5 mL, 62 mmol) (Aldrich) dissolved in a 1:1 mixture of THF/toluene (31 mL). Grignard reagent formation was observed after about after about 1 mL of the contents of the addition funnel had been added to the magnesium turnings. The remaining bromobenzene solution was added dropwise over a period of about 1 h. After the addition was complete the reaction mixture was heated at 70° C. for 1 h. The reaction mixture was cooled to room temperature and added via a canulating needled to an addition funnel on a second three-neck flask containing a solution of triethylborate (B(OEt)3) (10.5 mL, 62 mmol) in toluene (10 mL) maintained at 0° C. The solution of the freshly prepared Grignard reagent was then added dropwise to the solution of triethylborate over a period of 1 h. The cooling bath was then removed and the reaction mixture was allowed to stir at room temperature for 15 h. The reaction mixture was quenched with 10% H2SO4 (30 mL) and stirred at room temperature for 1 h. The layers were separated and the organic layer was dried over Na2SO4. After removal of the solvent, addition of hexane precipitated the product as an off-white solid, which was collected by filtration and dried to afford Phenyl-d5-boronic acid. Its yield: 3.50 g, 45%.

PHENYL-D5-BORONIC ACID Upstream-Materialien And Downstream Produkte

PHENYL-D5-BORONIC ACID Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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