CAS 5651-87-6

3-(2-Propyn-1-yloxy)benzaldehyde

Description:

3-(2-Propyn-1-yloxy)benzaldehyde, with the CAS number 5651-87-6, is an organic compound characterized by its aromatic structure and functional groups. It features a benzaldehyde moiety, which is a benzene ring with an aldehyde (-CHO) group, and an ether linkage with a propynyl group (-C≡C-CH3) attached to the benzene at the meta position. This compound is typically a colorless to pale yellow liquid with a distinct aromatic odor. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic aromatic structure. The presence of the alkyne group contributes to its reactivity, making it a potential candidate for various chemical reactions, including nucleophilic additions and coupling reactions. Additionally, its unique structure may impart specific biological activities, making it of interest in medicinal chemistry and material science. Proper handling and storage are essential, as with many organic compounds, to ensure safety and stability.

Formula: C₁₀H₈O₂

InChI: InChI=1S/C10H8O2/c1-2-6-12-10-5-3-4-9(7-10)8-11/h1,3-5,7-8H,6H2

InChI key: InChIKey=CYAQTWGCPCRKJT-UHFFFAOYSA-N

SMILES: O(CC#C)C1=CC(C=O)=CC=C1

Synonyms:

• 3-(Propargyloxy)benzaldehyde
• 3-(2-Propyn-1-yloxy)benzaldehyde
• Benzaldehyde, 3-(2-propynyloxy)-
• Benzaldehyde, m-(2-propynyloxy)-
• Benzaldehyde, 3-(2-propyn-1-yloxy)-

3-Prop-2-ynyloxy-benzaldehyde

CAS: 5651-87-6

Formula: C₁₀H₈O₂

Purity: 98%

Color and Shape: Liquid

Molecular weight: 160.1693

Ref: IN-DA00EA9O

3-Prop-2-ynoxybenzaldehyde

CAS: 5651-87-6

3-Prop-2-ynoxybenzaldehyde

Formula: C₁₀H₈O₂

Purity: 98%

Color and Shape: yellow. low melting solid

Molecular weight: 160.17g/mol

Ref: 54-OR945348

3-Prop-2-ynyloxy-benzaldehyde

CAS: 5651-87-6

Formula: C₁₀H₈O₂

Purity: 98%(GC-MS);RG

Molecular weight: 160.172

Ref: 10-F059408

3-Prop-2-ynyloxy-benzaldehyde

CAS: 5651-87-6

3-Prop-2-ynyloxy-benzaldehyde is a crystalline compound that can be used as an intermediate for the synthesis of azides. The crystal structure of 3-prop-2-ynyloxybenzaldehyde was determined by X-ray crystallography. This molecule has four nitro groups, which are in the form of methylenes. The active methylene is a tetradentate amine, which coordinates to the chloride ion and forms a supramolecular complex with it. The chloroformate group is also coordinated to this chloride ion. The azide group is coordinated to the chloride ion through an N–N bond, and the nitro group is coordinated through an N–O bond. This molecule has a high degree of symmetry due to its rigid geometry and planarity, which helps in its efficient synthesis methods.

Formula: C₁₀H₈O₂

Purity: Min. 95%

Molecular weight: 160.17 g/mol

Ref: 3D-FAA65187