4-Hydroxy-6-methylpyran-4-on

Bezeichnung:4-Hydroxy-6-methylpyran-4-on

CAS-Nr675-10-5

Englisch Name:4-Hydroxy-6-methyl-2-pyrone

CBNumberCB8767354

SummenformelC6H6O3

Molgewicht126.11

MOL-Datei675-10-5.mol

Synonyma

4-Hydroxy-6-methylpyran-4-on

4-Hydroxy-6-methylpyran-4-on physikalisch-chemischer Eigenschaften

Schmelzpunkt	188-190 °C (dec.) (lit.)
Siedepunkt	174.21°C (rough estimate)
Dichte	1.2048 (rough estimate)
Brechungsindex	1.4189 (estimate)
storage temp.	Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit	8.6g/l
pka	5.14±0.30(Predicted)
Aggregatzustand	Powder
Farbe	Off-white to brown
Wasserlöslichkeit	8.60 g/L (20 ºC)
BRN	113815
InChI	InChI=1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H3
InChIKey	NSYSSMYQPLSPOD-UHFFFAOYSA-N
SMILES	C1(=O)OC(C)=CC(O)=C1
CAS Datenbank	675-10-5(CAS DataBase Reference)
EPA chemische Informationen	2H-Pyran-2-one, 4-hydroxy-6-methyl- (675-10-5)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	26-36-37/39
WGK Germany	3
RTECS-Nr.	UQ1000000
Hazard Note	Irritant
TSCA	TSCA listed
HS Code	29322980
Speicherklasse	11 - Combustible Solids
Hazard Classifications	Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Gefahreninformationscode (GHS)

4-Hydroxy-6-methyl-2-pyrone 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:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
S37/39:Bei der Arbeit geeignete Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
Chemische Eigenschaften
white to light yellow crystal powder
Verwenden
4-Hydroxy-6-methylpyran-2-one was used in the synthesis of pyrano[3,2-c]pyridones with antiproliferative and apoptosis inducing activities. It was also used in the design of benzisothiazolone human leukocyte elastase inhibitors.
Definition
ChEBI: Triacetate lactone is a member of 2-pyranones. It is a conjugate acid of a triacetate lactone oxoanion.
Synthesis Reference(s)
Synthetic Communications, 20, p. 1931, 1990 DOI: 10.1080/00397919008053123
Synthese
14.4g (0.1mol) isopropylidene malonate, 35ml dichloromethane and 15ml chlorobenzene were placed in the reaction flask, cooled to <5C under stirring, 10.1g (0.1mol) triethylamine and 10.1g (0.12mol) bis(vinylidene) ketone were added dropwise. After addition, slowly warmed to room temperature, continue to stir for 2 hours. The reaction was washed with cooled dilute hydrochloric acid, dried, filtered and most of the dichloromethane was removed in a rotary evaporator. The residual reactant was heated and refluxed for 2 hours, and yellow crystals were precipitated. The crystals were cooled, filtered and washed with a small amount of ether. After drying, 4-hydroxy-6-methyl-2-pyranone was obtained 10.1g, yield 82%, m.p. 186-189 (literature value 188-189 ).

4-Hydroxy-6-methyl-2-pyrone Upstream-Materialien And Downstream Produkte

4-Hydroxy-6-methylpyran-4-on Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

675-10-5, 4-Hydroxy-6-methyl-2-pyrone Verwandte Suche:

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