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2-Ethynylbenzaldehyde

ALDRICH/590630 - 97%

CAS Number: 38846-64-9
Empirical Formula (Hill Notation): C9H6O
Molecular Weight: 130.14
MDL Number: MFCD04039985
Linear Formula: HC≡CC6H4CHO
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-590630-1G 1 g
 $137.00
1/EA		 Add To Favorites
45-590630-5G 5 g
 $238.00
1/EA		 Add To Favorites

 

assay 97%
form solid
functional group aldehyde
InChI 1S/C9H6O/c1-2-8-5-3-4-6-9(8)7-10/h1,3-7H
InChI key ZEDSAJWVTKUHHK-UHFFFAOYSA-N
mp 64-67 °C (lit.)
Quality Level 100 
SMILES string [H]C(=O)c1ccccc1C#C
Application: 2-Ethynylbenzaldehyde may be used in the synthesis of the following:
• iodoisoquinoline-fused benzimidazoles obtained via tandem iodocyclization of 2-ethynylbenzaldehyde with o-benzenediamine and iodine in the presence of copper(I)iodide
• N-[(7,7a-dihydroisoquinolino[2,1-a]perimidin-13-yl)methyl]-N-isopropylpropan-2-amine obtained via a multi-step process
It may also be used in the synthesis of the following substituted 2-alkynylbenzaldehydes by Sonogashira coupling:
• 2-[(2-bromophenyl)ethynyl]benzaldehyde
• 2-[(2-bromo-5-fluorophenyl)ethynyl]benzaldehyde
• 2-[(2-bromo-5-methylphenyl)ethynyl]benzaldehyde
• 2-(phenylethynyl)benzaldehyde
• 2-[(4-methylphenyl)ethynyl]benzaldehyde
Packaging: 1, 5 g in glass bottle
Purity 97%
mp 64-67 °C (lit.)
UNSPSC 12352100

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