865233-34-7 | 3-(4-Hydroxyphenyl)hex-4-ynoic acid

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$29.00	$21.00
1g	98%	in stock	$84.00	$59.00

Description

• Catalog Number: AH96798
• Chemical Name: 3-(4-Hydroxyphenyl)hex-4-ynoic acid
• CAS Number: 865233-34-7
• Molecular Formula: C12H12O3
• Molecular Weight: 204.22187999999997
• MDL Number: MFCD21605732
• SMILES: CC#CC(c1ccc(cc1)O)CC(=O)O

Computed Properties

• Complexity: 276
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 3
• Undefined Atom Stereocenter Count: 1
• XLogP3: 1.9

Upstream Synthesis Route

As a professional chemist, I can tell you that 3-(4-Hydroxyphenyl)hex-4-ynoic acid plays a significant role in chemical synthesis, specifically in the production of pharmaceuticals, organic compounds, and advanced materials. Its unique structure and functional groups make it a valuable building block for synthesizing various complex molecules.In chemical synthesis, 3-(4-Hydroxyphenyl)hex-4-ynoic acid can be utilized as a versatile intermediate for the construction of drug candidates, bioactive compounds, and specialty chemicals. Its alkyne moiety offers the potential for further functionalization through various reactions such as Sonogashira coupling, click chemistry, and Suzuki-Miyaura cross-coupling, allowing for the introduction of diverse functional groups.Furthermore, the hydroxyphenyl group in 3-(4-Hydroxyphenyl)hex-4-ynoic acid can participate in hydrogen bonding interactions, making it useful for designing molecular frameworks with specific intermolecular forces. This property is particularly beneficial in medicinal chemistry for enhancing the bioavailability and pharmacological properties of pharmaceuticals.Overall, the versatile nature of 3-(4-Hydroxyphenyl)hex-4-ynoic acid makes it a valuable tool in chemical synthesis, enabling chemists to access a wide range of structurally diverse compounds with potential applications in pharmaceuticals, materials science, and other fields.