4,4,5,5,5-Pentafluoro-1-pentanol

Bezeichnung:4,4,5,5,5-Pentafluoro-1-pentanol

CAS-Nr148043-73-6

Englisch Name:4,4,5,5,5-Pentafluoro-1-pentanol

CBNumberCB4232519

SummenformelC5H7F5O

Molgewicht178.1

MOL-Datei148043-73-6.mol

4,4,5,5,5-Pentafluoro-1-pentanol physikalisch-chemischer Eigenschaften

Siedepunkt	62-64 °C35 mm Hg(lit.)
Dichte	1.35 g/mL at 25 °C(lit.)
Dampfdruck	1.1-155.2hPa at 25-80.3℃
Brechungsindex	n20/D 1.33(lit.)
Flammpunkt	145 °F
storage temp.	2-8°C
Löslichkeit	Chloroform
pka	14.77±0.10(Predicted)
Aggregatzustand	Liquid
Farbe	Clear colorless
InChI	InChI=1S/C5H7F5O/c6-4(7,2-1-3-11)5(8,9)10/h11H,1-3H2
InChIKey	QROUUECTKRZFHF-UHFFFAOYSA-N
SMILES	C(O)CCC(F)(F)C(F)(F)F
LogP	1.59 at 25℃ and pH7
CAS Datenbank	148043-73-6(CAS DataBase Reference)
EPA chemische Informationen	3-(Perfluoroethyl)propanol (148043-73-6)

Sicherheit

Kennzeichnung gefährlicher	Xi,F
R-Sätze:	36-36/37/38
S-Sätze:	26-36
RIDADR	1993
WGK Germany	2
Hazard Note	Irritant
HazardClass	FLAMMABLE
HS Code	29055900

Gefahreninformationscode (GHS)

4,4,5,5,5-Pentafluoro-1-pentanol Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36:Reizt die Augen.
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.
Beschreibung
4,4,5,5,5-Pentafluoro-1-pentanol (PFP; Pentafluoropentanol) is an essential building block primarily used in the commercial manufacture of the API. It is typically activated with a sulfonate leaving group and displaced selectively by the sulfur atom in 9-mercapto-1-nonanol to make 9-[(4,4,5,5,5-pentafluoropentyl)-thio]-1-nonanol (FVS). FVS is subsequently converted into a bromide and coupled with the steroid portion to make fulvestrant. First approved by the FDA in 2002, fulvestrant is a medication used to treat hormone receptor (HR)-positive metastatic breast cancer in postmenopausal women with disease progression.
Chemische Eigenschaften
Colorless to yellow liquid
Verwenden
4,4,5,5,5-Pentafluoro-1-pentanol may be used in the preparation of chlorine-capped telechelic poly(methyl methacrylate)s.
Verwenden
4,4,5,5,5-Pentafluoro-1-pentanol (Pentafluoropentanol) is an intermediate in preparing pentafluoropentane-1-thiol: a vital chain of anti-breast cancer agents.
Allgemeine Beschreibung
4,4,5,5,5-Pentafluoro-1-pentanol, also known as pentafluoropentanol, is a perfluorous solvent.
Synthese
Pentafluoroiodoethane could used as a starting material to synthesize 4,4,5,5,5-Pentafluoro-1-pentanol. Specific steps are as follows: under an inert gas atmosphere, iron acetylacetonate, 6,6'-dimethyl-2,2'-bipyridine, and 1,2-dichloroethane were added to the reactor, reacted at RT for 0.5 h; added allyl alcohol, cesium carbonate, pentafluoroiodoethane successively, triisopropylsilane, warmed up to 80 ℃ and reacted for 24 h. Sampling and detection confirmed that the reaction of allyl alcohol was complete, stopped the reaction, and cooled to room temperature. The excess pentafluoroiodoethane was recovered, nitrogen was introduced into the system, hydrochloric acid was added to quench the reaction, washed, separated to obtain an organic phase, distilled to remove the solvent, and rectified to obtain 4,4,5,5,5-pentafluoro Amyl alcohol. Yield: 90.4%.

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