10602-03-6 | Ethyl 4-ethynylbenzoate

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$18.00	$13.00
5g	98%	in stock	$65.00	$46.00

Description

• Catalog Number: AB73847
• Chemical Name: Ethyl 4-ethynylbenzoate
• CAS Number: 10602-03-6
• Molecular Formula: C11H10O2
• Molecular Weight: 174.1959
• MDL Number: MFCD00168821
• SMILES: CCOC(=O)c1ccc(cc1)C#C

Computed Properties

• Complexity: 216
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• XLogP3: 2.9

Upstream Synthesis Route

Ethyl 4-ethynylbenzoate is a key compound in chemical synthesis, particularly in the field of organic chemistry. This compound is commonly used as a versatile building block in the construction of various complex molecules. Due to its unique structure and reactivity, Ethyl 4-ethynylbenzoate serves as a valuable intermediate in the synthesis of pharmaceuticals, agrochemicals, and fine chemicals.One of the main applications of Ethyl 4-ethynylbenzoate is in the formation of aryl alkynes through Sonogashira coupling reactions. This reaction is widely utilized in the synthesis of natural products and heterocyclic compounds. Additionally, Ethyl 4-ethynylbenzoate can undergo cross-coupling reactions with various functional groups, enabling the introduction of ethynyl moieties into organic molecules with high efficiency.Furthermore, Ethyl 4-ethynylbenzoate can be utilized as a precursor for the preparation of conjugated systems, which are crucial in the development of organic electronic materials and molecular devices. Its ability to participate in transition metal-catalyzed reactions makes it an essential compound for the synthesis of π-conjugated systems with tailored electronic properties.Overall, the versatile nature of Ethyl 4-ethynylbenzoate makes it a valuable tool in the hands of synthetic chemists for the efficient construction of diverse organic molecules with desired functionalities and properties.