4-Brombrenzcatechin

Bezeichnung:4-Brombrenzcatechin

CAS-Nr17345-77-6

Englisch Name:4-Bromocatechol

CBNumberCB3200564

SummenformelC6H5BrO2

Molgewicht189.01

MOL-Datei17345-77-6.mol

Synonyma

4-Brombrenzcatechin

4-Brombrenzcatechin physikalisch-chemischer Eigenschaften

Schmelzpunkt	87 °C
Siedepunkt	280.5±20.0 °C(Predicted)
Dichte	1.844±0.06 g/cm3(Predicted)
storage temp.	under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit	DMSO
Aggregatzustand	Solid
pka	8.84±0.10(Predicted)
Farbe	Brown
Stabilität	Light Sensitive
InChI	InChI=1S/C6H5BrO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H
InChIKey	AQVKHRQMAUJBBP-UHFFFAOYSA-N
SMILES	C1(O)=CC=C(Br)C=C1O

Sicherheit

R-Sätze:	36/37/38
S-Sätze:	26-36/37/39-24/25
HS Code	29081990

Gefahreninformationscode (GHS)

4-Bromocatechol Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36/37/39:Bei der Arbeit geeignete Schutzkleidung,Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
Chemische Eigenschaften
Grey powder
Verwenden
A type of human dopamine sulfotransferase, belonging to the catechol family of molecules.
Definition
ChEBI: 4-Bromocatechol is a member of catechols.
Synthese

120-80-9

17345-77-6

GENERAL METHODS: Catechol (1 mmol) was dissolved in acetonitrile (5 mL) and a magnetic stirrer was added to form a magnetically stirred solution. Subsequently, OXBTEATB (0.233 g, 0.5 mmol) was added to the solution and the reaction was stirred at room temperature for the reaction time referred to in Table 1.The reaction progress was monitored by thin layer chromatography (TLC) with an eluent ratio of hexane/ethyl acetate (5:1). Upon completion of the reaction, OXBTEATB was removed by filtration, and the filtrate was transferred to a partition funnel and extracted sequentially with water (15 mL) and dichloromethane (20 mL). The organic layer was collected and dried with anhydrous Na2SO4 and subsequently concentrated in a rotary evaporator to remove solvent. The crude product was purified by silica gel column chromatography, the eluent being a solvent mixture of hexane and ethyl acetate. To regenerate the reagents, the resulting white solid was treated with liquid bromine. The structures of all products were confirmed by determination of melting points or 1H NMR spectra and comparison with data reported in the literature [29a-29e].
Einzelnachweise
[1] Synthetic Communications, 2007, vol. 37, # 2, p. 323 - 328
[2] Organic letters, 2002, vol. 4, # 22, p. 3975 - 3978
[3] Molecules, 2014, vol. 19, # 3, p. 3401 - 3416
[4] Patent: US4791139, 1988, A
[5] Letters in Organic Chemistry, 2018, vol. 15, # 8, p. 682 - 687

4-Bromocatechol Upstream-Materialien And Downstream Produkte

4-Brombrenzcatechin Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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