558095
(S)-(+)-4-Phenyl-2-butanol
97%, optical purity99% (ee) (GLC)
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About This Item
Linear Formula:
C6H5(CH2)2CH(OH)CH3
CAS Number:
Molecular Weight:
150.22
MDL number:
UNSPSC Code:
12352002
PubChem Substance ID:
NACRES:
NA.22
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Assay
97%
optical activity
[α]20/D +15.8°, c = 1% in chloroform
optical purity
99% (ee) (GLC)
refractive index
n20/D 1.5150 (lit.)
bp
206-207 °C (lit.)
density
0.976 g/mL at 25 °C (lit.)
SMILES string
C[C@H](O)CCc1ccccc1
InChI
1S/C10H14O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3/t9-/m0/s1
InChI key
GDWRKZLROIFUML-VIFPVBQESA-N
Related Categories
General description
(S)-(+)-4-Phenyl-2-butanol can be efficiently racemized using an aminocyclopentadienyl ruthenium complex.
Application
(S)-(+)-4-Phenyl-2-butanol can be used in the preparation of antihypertensive agents, bufeniode and labetalol.
Storage Class Code
10 - Combustible liquids
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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Xerogel-encapsulated W110A secondary alcohol dehydrogenase from Thermoanaerobacter ethanolicus performs asymmetric reduction of hydrophobic ketones in organic solvents.
Musa MM, et al.
Angewandte Chemie (International Edition in English), 46(17), 3091-3094 (2007)
Aminocyclopentadienyl ruthenium complexes as racemization catalysts for dynamic kinetic resolution of secondary alcohols at ambient temperature.
Choi JH, et al.
The Journal of Organic Chemistry, 69(6), 1972-1977 (2004)
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