Home Aldehydes 2-Ethynylbenzaldehyde

2-Ethynylbenzaldehyde

CAS No.:
38846-64-9
Catalog Number:
AG003H8A
Molecular Formula:
C9H6O
Molecular Weight:
130.1433
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$44
- +
5g
97%
In Stock USA
United States
$150
- +
25g
97%
In Stock USA
United States
$525
- +
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
Properties