| Identification | More | [Name]
4,4,5,5,5-Pentafluoro-1-pentanol | [CAS]
148043-73-6 | [Synonyms]
4,4,5,5,5-PENTAFLUORO-1-PENTANOL
4,4,5,5,5-PENTAFLUOROPENTAN-1-OL
4,4,5,5,5-PENTAFLUOROPENTANOL
Pentafluoropentanol
4,4,5,5,5-Pentafluoropentan-1-ol 96%
4,4,5,5,5-Pentafluoropentan-1-ol96%
4,4,5,5,5-Pentafluoro-1-pentanol ,97% | [EINECS(EC#)]
421-360-9 | [Molecular Formula]
C5H7F5O | [MDL Number]
MFCD00153224 | [Molecular Weight]
178.1 | [MOL File]
148043-73-6.mol |
| Chemical Properties | Back Directory | [Boiling point ]
62-64 °C35 mm Hg(lit.)
| [density ]
1.35 g/mL at 25 °C(lit.)
| [vapor pressure ]
1.1-155.2hPa at 25-80.3℃ | [refractive index ]
n20/D 1.33(lit.)
| [Fp ]
145 °F
| [storage temp. ]
Sealed in dry,2-8°C | [solubility ]
Chloroform | [form ]
Liquid | [pka]
14.77±0.10(Predicted) | [color ]
Clear colorless | [Detection Methods]
GC,NMR | [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 DataBase Reference]
148043-73-6(CAS DataBase Reference) | [EPA Substance Registry System]
3-(Perfluoroethyl)propanol (148043-73-6) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,F | [Risk Statements ]
R36:Irritating to the eyes.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [RIDADR ]
1993 | [WGK Germany ]
2
| [Hazard Note ]
Irritant | [HazardClass ]
FLAMMABLE | [HS Code ]
29055900 |
| Hazard Information | Back Directory | [Description]
4,4,5,5,5-Pentafluoro-1-pentanol (PFP) 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.
| [Chemical Properties]
Colorless to yellow liquid | [Uses]
An intermediate in the preparation of pentafluoropentane-1-thiol: an important chain of anti-breast cancer agents. | [General Description]
4,4,5,5,5-Pentafluoro-1-pentanol(148043-73-6), also known as pentafluoropentanol, is a perfluorous solvent.
| [Synthesis]
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%.
 |
| Well-known Reagent Company Product Information | Back Directory | [Alfa Aesar]
4,4,5,5,5-Pentafluoropentanol, 94%(148043-73-6) | [Sigma Aldrich]
148043-73-6(sigmaaldrich) | [TCI AMERICA]
4,4,5,5,5-Pentafluoro-1-pentanol,>93.0%(GC)(148043-73-6) |
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