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AA05721

10147-11-2 | 3-Phenyl-1-propyne

Packsize Purity Availability Price Discounted Price    Quantity
250mg 95% in stock $48.00 $33.00 -   +
1g 95% in stock $65.00 $46.00 -   +
5g 95% in stock $202.00 $141.00 -   +

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Description
Catalog Number: AA05721
Chemical Name: 3-Phenyl-1-propyne
CAS Number: 10147-11-2
Molecular Formula: C9H8
Molecular Weight: 116.1598
MDL Number: MFCD00134431
SMILES: CC#Cc1ccccc1

 

Computed Properties
Complexity: 109  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 9  
Rotatable Bond Count: 1  
XLogP3: 2.9  

 

 

Upstream Synthesis Route 
  • 3-Phenyl-1-propyne, also known as phenylacetylene, is a versatile compound commonly used in chemical synthesis to facilitate various reactions and create a wide range of products. This compound serves as a valuable building block in organic chemistry due to its unique structure and reactivity.One significant application of 3-Phenyl-1-propyne in chemical synthesis is as a precursor in Sonogashira coupling reactions. In these reactions, phenylacetylene can undergo a coupling reaction with aryl or vinyl halides in the presence of a palladium catalyst and a base. This process results in the formation of new carbon-carbon bonds, allowing for the synthesis of complex organic molecules with tailored properties.Additionally, 3-Phenyl-1-propyne is often used in the synthesis of various organic compounds, including pharmaceuticals, agrochemicals, and materials. Its ability to undergo addition and substitution reactions makes it a valuable intermediate in the production of diverse chemical products.Furthermore, phenylacetylene can also participate in cycloaddition reactions, such as the Diels-Alder reaction, to form fused aromatic rings and cyclic structures. These reactions enable the construction of complex molecular frameworks found in natural products and advanced materials.Overall, the versatility of 3-Phenyl-1-propyne in chemical synthesis makes it a valuable tool for organic chemists seeking to design and create novel compounds for a wide range of applications.
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