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About This Item
Linear Formula:
(CH3)3CC6H4OC6H4CHO
CAS Number:
Molecular Weight:
254.32
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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assay
98%
form
solid
refractive index
n20/D 1.57 (lit.)
bp
152 °C/0.4 mmHg (lit.)
density
0.984 g/mL at 25 °C (lit.)
SMILES string
CC(C)(C)c1ccc(Oc2cccc(C=O)c2)cc1
InChI
1S/C17H18O2/c1-17(2,3)14-7-9-15(10-8-14)19-16-6-4-5-13(11-16)12-18/h4-12H,1-3H3
Inchi Key
YZIHNHLGGMSWAD-UHFFFAOYSA-N
Application
3-(4-tert-Butylphenoxy)benzaldehyde was used in high-throughput parallel synthesis of library compounds for early drug discovery[1]. It was also used in purification platform developed by ArQule that is based on reverse phase high performance liquid chromatography separation and mass directed fractionation[2].
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High throughput HPLC/MS purification in support of drug discovery
Goetzinger W, et al.
International Journal of Mass Spectrometry, 238(2), 153-162 (2004)
James N Kyranos et al.
Journal of combinatorial chemistry, 6(5), 796-804 (2004-09-14)
High-throughput parallel synthesis of library compounds for early drug discovery requires high-throughput analytical methods to confirm synthesis, identify reaction products, and determine purity. An ultrafast 1.0-min HPLC/UV/ELSD/MS method was developed and compared to our standard 2.5- and 5.0-min methods in
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