10602-06-9 | Methyl 3-ethynylbenzoate

Packsize	Purity	Availability	Price	Discounted Price
100mg	98%	in stock	$5.00	$4.00
1g	98%	in stock	$14.00	$10.00
5g	98%	in stock	$69.00	$49.00
10g	98%	in stock	$137.00	$96.00
25g	98%	in stock	$342.00	$240.00

Description

• Catalog Number: AB51419
• Chemical Name: Methyl 3-ethynylbenzoate
• CAS Number: 10602-06-9
• Molecular Formula: C10H8O2
• Molecular Weight: 160.1693
• MDL Number: MFCD08703579
• SMILES: COC(=O)c1cccc(c1)C#C

Computed Properties

• Complexity: 211
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• XLogP3: 2.7

Upstream Synthesis Route

Methyl 3-ethynylbenzoate is a key organic compound that plays a crucial role in chemical synthesis. With its unique structure and reactivity, Methyl 3-ethynylbenzoate is commonly utilized in a variety of synthetic processes within the field of organic chemistry. One of its main applications lies in the versatile functional group transformations it undergoes in various chemical reactions, making it a valuable building block for the synthesis of diverse organic compounds. In particular, Methyl 3-ethynylbenzoate is often employed in the construction of complex molecules and pharmaceutical intermediates through processes such as cross-coupling reactions, alkynylation reactions, and Sonogashira coupling reactions. Its ability to serve as a precursor for the introduction of ethynyl moieties into target molecules makes it a valuable tool for chemists seeking to design and create novel organic compounds with specific properties and functions. Additionally, Methyl 3-ethynylbenzoate's compatibility with a range of reaction conditions and its ease of functionalization make it a versatile and reliable component in organic synthesis strategies aimed at solving challenging synthetic problems and achieving desired molecular structures.