4-Dibenzothiopheneboronic acid

Bezeichnung:4-Dibenzothiopheneboronic acid

CAS-Nr108847-20-7

Englisch Name:4-Dibenzothiopheneboronic acid

CBNumberCB6499477

SummenformelC12H9BO2S

Molgewicht228.07

MOL-Datei108847-20-7.mol

4-Dibenzothiopheneboronic acid physikalisch-chemischer Eigenschaften

Schmelzpunkt	327-330 °C (lit.)
Siedepunkt	480.2±37.0 °C(Predicted)
Dichte	1.38±0.1 g/cm3(Predicted)
storage temp.	Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit	soluble in Methanol
Aggregatzustand	Powder
pka	8.29±0.30(Predicted)
Farbe	White
BRN	197863
InChI	InChI=1S/C12H9BO2S/c14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10/h1-7,14-15H
InChIKey	GOXNHPQCCUVWRO-UHFFFAOYSA-N
SMILES	B(C1=C2SC3=CC=CC=C3C2=CC=C1)(O)O
CAS Datenbank	108847-20-7(CAS DataBase Reference)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	22-24/25-37/39-26
WGK Germany	3
HazardClass	IRRITANT
HS Code	29333990
Speicherklasse	11 - Combustible Solids

Gefahreninformationscode (GHS)

4-Dibenzothiopheneboronic acid Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S22:Staub nicht einatmen.
S24/25:Berührung mit den Augen und der Haut vermeiden.
S37/39:Bei der Arbeit geeignete Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
Chemische Eigenschaften
White to light yellow crystal powder
Verwenden
suzuki reaction
Synthese

97511-05-2

121-43-7

108847-20-7

The general procedure for the synthesis of dibenzothiophene-4-boronic acid from 4-bromodibenzothiophene and trimethyl borate was as follows: first, 4-bromodibenzothiophene was dissolved in anhydrous tetrahydrofuran (THF), and the reaction system was cooled to -78 °C. Under nitrogen protection, n-butyllithium (2.5 M hexane solution) was slowly added dropwise, maintaining the reaction temperature at -78 °C. After the dropwise addition, the reaction system was warmed to 0 °C and stirring was continued for 1 hour. Subsequently, the reaction system was again cooled to -78 °C and trimethyl borate was slowly added dropwise. After completion of dropwise addition, the reaction system was gradually warmed to room temperature and stirred for 12 hours. After completion of the reaction, the reaction mixture was slowly poured into 2N aqueous hydrochloric acid solution and stirred for 30 minutes. The aqueous phase was extracted with ether and the organic phase was combined. The organic phase was dried with anhydrous magnesium sulfate and filtered to remove the desiccant. The filtrate was concentrated under reduced pressure to give the crude product. The crude product was purified by column chromatography to afford the target product dibenzothiophene-4-boronic acid in 82% yield.
Einzelnachweise
[1] Patent: KR101497123, 2015, B1. Location in patent: Paragraph 0088; 0089; 0090; 0091; 0092
[2] RSC Advances, 2015, vol. 5, # 88, p. 72009 - 72018
[3] Journal of Fluorescence, 2017, vol. 27, # 2, p. 451 - 461

4-Dibenzothiopheneboronic acid Upstream-Materialien And Downstream Produkte

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