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558095

Sigma-Aldrich

(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

Quality Level

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

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)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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