49554
(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
≥98.0% (GC)
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About This Item
Empirical Formula (Hill Notation):
C10H8F6O
CAS Number:
Molecular Weight:
258.16
MDL number:
UNSPSC Code:
12352002
PubChem Substance ID:
Assay
≥98.0% (GC)
form
solid
optical activity
[α]/D +27±1°, c = 1 in acetonitrile
optical purity
enantiomeric ratio: 97:3 (GC)
mp
53-58 °C
SMILES string
C[C@@H](O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI
1S/C10H8F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5,17H,1H3/t5-/m1/s1
InChI key
MMSCIQKQJVBPIR-RXMQYKEDSA-N
General description
(R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol is a key intermediate for the synthesis of aprepitant, a potent human neurokinin-1 (NK-1) receptor.
Signal Word
Warning
Hazard Statements
Hazard Classifications
Acute Tox. 4 Oral
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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Efficient Synthesis of (1R)-[3, 5-Bis (trifluoromethyl) phenyl] Ethanol, a Key Intermediate for Aprepitant, an NK-1 Receptor Antagonist.
Vankawala PJ, et al.
Synthetic Communications, 37(19), 3439-3446 (2007)
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