195928

Sigma-Aldrich

3-(4-tert-Butylphenoxy)benzaldehyde

98%

Linear Formula:
(CH3)3CC6H4OC6H4CHO
CAS Number:
Molecular Weight:
254.32
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

assay

98%

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

Related Categories

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.

Packaging

10 g in glass bottle

Pictograms

Environment

Signal Word

Warning

Hazard Statements

Precautionary Statements

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

UN 3082 9 / PGIII

WGK Germany

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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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