4-Hydroxyindan-1-one

Bezeichnung:4-Hydroxyindan-1-one

CAS-Nr40731-98-4

Englisch Name:4-Hydroxyindan-1-one

CBNumberCB6271341

SummenformelC9H8O2

Molgewicht148.16

MOL-Datei40731-98-4.mol

4-Hydroxyindan-1-one physikalisch-chemischer Eigenschaften

Schmelzpunkt	242-244 °C (lit.)
Siedepunkt	307.6±31.0 °C(Predicted)
Dichte	1.305±0.06 g/cm3(Predicted)
storage temp.	Inert atmosphere,Room Temperature
Löslichkeit	Soluble in ethanol. (25mg/ml)
Aggregatzustand	powder to crystal
pka	9.22±0.20(Predicted)
Farbe	White to Orange to Green
InChI	InChI=1S/C9H8O2/c10-8-3-1-2-6-7(8)4-5-9(6)11/h1-3,10H,4-5H2
InChIKey	CKSCMRNFDBWFND-UHFFFAOYSA-N
SMILES	C1(=O)C2=C(C(O)=CC=C2)CC1
CAS Datenbank	40731-98-4(CAS DataBase Reference)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	26-36
WGK Germany	3
HS Code	29145090
Speicherklasse	11 - Combustible Solids
Hazard Classifications	Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Gefahreninformationscode (GHS)

4-Hydroxyindan-1-one 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.
Chemische Eigenschaften
white to light yellow crystal powder
Verwenden
4-Hydroxy-1-indanone is a hydroxylated indanone used for synthesis. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuffs.
Synthese

119-84-6

40731-98-4

General procedure for the synthesis of 4-hydroxy-1-indanone from hydrogenated cinnamic acid lactone: A mixture of aluminum chloride (90.0 g, 676 mmol) and sodium chloride was stirred at 150 °C until the solid was completely dissolved, followed by the slow dropwise addition of hydrogenated cinnamic acid lactone (20.0 g, 135 mmol). After the dropwise addition, the reaction mixture was warmed to 200 °C and stirred continuously for 1 hour. Upon completion of the reaction, the mixture was cooled to room temperature and slowly poured into ice water (500 mL), followed by filtration to collect the crude product. The crude product was purified by recrystallization to afford 4-hydroxy-1-indanone (19 g, 95% yield) as a gray solid. The structure of the compound was confirmed by the following spectral data: mass spectrum (ESI positive ion mode) m/z 149.5 [M + H]+; 1H NMR (400 MHz, CDCl3) δ (ppm): 7.41-7.38 (m, 1H), 7.24-7.19 (m, 1H), 6.80-6.79 (m, 1H), 6.78-6.77 (d , 1H, J = 4.0 Hz), 5.46 (br, 1H), 3.06-3.03 (m, 2H), 2.69-2.66 (m, 2H).
Einzelnachweise
[1] Patent: WO2014/19344, 2014, A1. Location in patent: Paragraph 00820
[2] Patent: WO2014/82380, 2014, A1. Location in patent: Paragraph 00314; 00315
[3] Patent: WO2014/82379, 2014, A1. Location in patent: Page/Page column 112; 113
[4] Patent: WO2014/131315, 2014, A1. Location in patent: Page/Page column 112
[5] Patent: US2015/79028, 2015, A1. Location in patent: Paragraph 2389; 2390; 2391; 2392; 2393

4-Hydroxyindan-1-one Upstream-Materialien And Downstream Produkte

4-Hydroxyindan-1-one Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

40731-98-4, 4-Hydroxyindan-1-one Verwandte Suche:

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