195928
3-(4-叔丁基苯氧基)苯甲醛
98%
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线性分子式:
(CH3)3CC6H4OC6H4CHO
化学文摘社编号:
分子量:
254.32
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
274-109-9
MDL number:
产品名称
3-(4-叔丁基苯氧基)苯甲醛, 98%
InChI key
YZIHNHLGGMSWAD-UHFFFAOYSA-N
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
SMILES string
CC(C)(C)c1ccc(Oc2cccc(C=O)c2)cc1
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.)
Application
3-(4-tert-Butylphenoxy)benzaldehyde was used in high-throughput parallel synthesis of library compounds for early drug discovery. 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.
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
High throughput HPLC/MS purification in support of drug discovery
Goetzinger W, et al.
International Journal of Mass Spectrometry, 238(2), 153-162 (2004)
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