p-Hydroxyvalerophenon

Bezeichnung:p-Hydroxyvalerophenon

CAS-Nr2589-71-1

Englisch Name:4'-Hydroxyvalerophenone

CBNumberCB8203348

SummenformelC11H14O2

Molgewicht178.23

MOL-Datei2589-71-1.mol

Synonyma

p-Hydroxyvalerophenon

p-Hydroxyvalerophenon physikalisch-chemischer Eigenschaften

Schmelzpunkt	62-65 °C
Siedepunkt	182-183 °C/3 mmHg(lit.)
Dichte	1.0292 (rough estimate)
Brechungsindex	1.5390 (estimate)
storage temp.	Sealed in dry,Room Temperature
pka	8.13±0.15(Predicted)
Aggregatzustand	powder to crystal
Farbe	White to Orange to Green
InChI	InChI=1S/C11H14O2/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8,12H,2-4H2,1H3
InChIKey	ZKCJJGOOPOIZTE-UHFFFAOYSA-N
SMILES	C(C1=CC=C(O)C=C1)(=O)CCCC
CAS Datenbank	2589-71-1(CAS DataBase Reference)
NIST chemische Informationen	1-Pentanone, 1-(4-hydroxyphenyl)-(2589-71-1)
EPA chemische Informationen	1-Pentanone, 1-(4-hydroxyphenyl)- (2589-71-1)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	24/25-37/39-26
WGK Germany	3
TSCA	TSCA listed
HS Code	29182900

Gefahreninformationscode (GHS)

4'-Hydroxyvalerophenone Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
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 beige powder
Verwenden
4'-Hydroxyvalerophenone is an organic intermediate and pharmaceutical intermediate for the preparation of acylphenoxyacetic acid compounds.
synthetische
4'-Hydroxyvalerophenone is synthesized from phenol and valeryl chloride. It is a raw material intermediate for liquid crystals.
Synthesis Reference(s)
Tetrahedron Letters, 35, p. 6537, 1994 DOI: 10.1016/S0040-4039(00)78266-9
Synthese

638-29-9

108-95-2

2589-71-1

GENERAL METHOD: Phenol (0.28 mmol) was dissolved in trifluoromethanesulfonic acid (TfOH, 3 mL) with n-pentanoyl chloride (0.28 mmol) at 0 °C. The reaction mixture was gradually warmed up to room temperature according to the conditions shown in Table 2 and kept for an appropriate time. After completion of the reaction, the mixture was poured into a mixture of ice water and ethyl acetate. The organic layer was separated and washed sequentially with 1 M hydrochloric acid, saturated sodium bicarbonate solution and saturated sodium chloride solution. The organic layer was dried over anhydrous magnesium sulfate and filtered, and the filtrate was concentrated. The crude product was purified by silica gel column chromatography to give 4-hydroxyvalerophenone. The spectral data of all the products were in agreement with those reported in the literature.
Einzelnachweise
[1] Tetrahedron, 2011, vol. 67, # 3, p. 641 - 649
[2] Chemische Berichte, 1985, vol. 118, # 8, p. 3332 - 3349
[3] Tetrahedron, 1981, vol. 37, # 16, p. 2815 - 2821
[4] Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 1998, vol. 54, # 2, p. 285 - 297
[5] Bioorganic and Medicinal Chemistry Letters, 2001, vol. 11, # 6, p. 841 - 844

4'-Hydroxyvalerophenone Upstream-Materialien And Downstream Produkte

p-Hydroxyvalerophenon Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

2589-71-1, 4'-Hydroxyvalerophenone Verwandte Suche:

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