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38846-64-9 | 2-Ethynylbenzaldehyde
CAS No: 38846-64-9 Catalog No: AG003H8A MDL No:MFCD04039985
Product Description
Catalog Number:
AG003H8A
Chemical Name:
2-Ethynylbenzaldehyde
CAS Number:
38846-64-9
Molecular Formula:
C9H6O
Molecular Weight:
130.1433
MDL Number:
MFCD04039985
IUPAC Name:
2-ethynylbenzaldehyde
InChI:
InChI=1S/C9H6O/c1-2-8-5-3-4-6-9(8)7-10/h1,3-7H
InChI Key:
ZEDSAJWVTKUHHK-UHFFFAOYSA-N
SMILES:
C#Cc1ccccc1C=O
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.042g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.146g/mol
Monoisotopic Mass:
130.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| A stereodynamic probe providing a chiroptical response to substrate-controlled induction of an axially chiral arylacetylene framework. | Journal of the American Chemical Society 20110302 |
| CuI/I2-promoted electrophilic tandem cyclization of 2-ethynylbenzaldehydes with ortho-benzenediamines: synthesis of iodoisoquinoline-fused benzimidazoles. | The Journal of organic chemistry 20110107 |
| Construction of indole- and isoquinoline-fused nitrogen-containing heterocycles through copper-catalyzed multi-component reaction. | Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20100701 |
| Gold(III) chloride catalyzed synthesis of 1-cyanoisoindoles. | Organic letters 20091105 |
| Rapid access to 3-(aminomethyl)isoquinoline-fused polycyclic compounds by copper-catalyzed four-component coupling, cascade cyclization, and oxidation. | The Journal of organic chemistry 20090821 |
| Development of new palladium(0)-catalyzed reactions based on novel oxidative addition mode. | Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20080901 |
| Palladium(0)-catalyzed regioselective and multicomponent synthesis of 1,2,3-trisubstituted 1H-indenes. | Organic letters 20070802 |
| Design and synthesis of beta-methoxyacrylate analogues via click chemistry and biological evaluations. | Bioorganic & medicinal chemistry letters 20070401 |
| Gold(I) or gold(III) as active species in AuCl(3)-catalyzed cyclization/cycloaddition reactions? A DFT study. | Chemical communications (Cambridge, England) 20040807 |
| Inversion of the direction of stereoinduction in the coupling of chiral gamma,delta-unsaturated Fischer carbene complexes with o-ethynylbenzaldehyde. | Organic letters 20020627 |
| One-step convergent synthesis of the steroid ring system via the coupling of gamma,delta-unsaturated Fischer carbene complexes with o-ethynylbenzaldehyde. | Organic letters 20011101 |
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