3034-86-4 | Methyl 4-ethynylbenzoate

Packsize	Purity	Availability	Price	Discounted Price
100mg	98%	in stock	$6.00	$4.00
250mg	98%	in stock	$7.00	$5.00
1g	98%	in stock	$11.00	$8.00
5g	98%	in stock	$17.00	$12.00
10g	98%	in stock	$30.00	$21.00
25g	98%	in stock	$66.00	$46.00
100g	98%	in stock	$255.00	$178.00

Description

• Catalog Number: AB39517
• Chemical Name: Methyl 4-ethynylbenzoate
• CAS Number: 3034-86-4
• Molecular Formula: C10H8O2
• Molecular Weight: 160.1693
• MDL Number: MFCD00168820
• SMILES: COC(=O)c1ccc(cc1)C#C

Computed Properties

• Complexity: 203
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• XLogP3: 2.6

Upstream Synthesis Route

Methyl 4-ethynylbenzoate, a versatile chemical compound, finds wide application in chemical synthesis as a key building block in organic chemistry. Its unique structure, characterized by the presence of an ethynyl group attached to a benzene ring, imparts distinctive reactivity and functionality to enable the formation of diverse compounds. In organic synthesis, Methyl 4-ethynylbenzoate serves as a significant precursor for the preparation of various pharmaceuticals, agrochemicals, and advanced materials. Its ability to undergo substitution, addition, and cyclization reactions makes it a valuable tool for the construction of complex molecular structures. With its strategic placement within the molecular scaffold, this compound facilitates the introduction of specific functional groups or modifications essential for the design and development of novel compounds with targeted properties. Overall, the utility of Methyl 4-ethynylbenzoate in chemical synthesis lies in its role as a versatile starting material for the creation of a diverse array of important organic molecules with tailored functionalities and applications.