1006-65-1 | 3-Phenyl-1,2-oxazole

Packsize	Purity	Availability	Price	Discounted Price
250mg	98%	in stock	$72.00	$50.00
1g	96%	in stock	$131.00	$92.00
5g	96%	in stock	$511.00	$358.00
10g	96%	in stock	$915.00	$641.00

Description

• Catalog Number: AA02961
• Chemical Name: 3-Phenyl-1,2-oxazole
• CAS Number: 1006-65-1
• Molecular Formula: C9H7NO
• Molecular Weight: 145.1580
• MDL Number: MFCD00464218
• SMILES: c1ccc(cc1)c1nocc1

Computed Properties

• Complexity: 121
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• XLogP3: 2

Upstream Synthesis Route

3-Phenylisoxazole, also known as 1,3-phenylisoxazole, is a versatile compound widely utilized in chemical synthesis for various applications. In organic chemistry, 3-Phenylisoxazole is commonly employed as a building block in the synthesis of pharmaceuticals, agrochemicals, and fine chemicals due to its unique structural properties and reactivity. One of the key applications of 3-Phenylisoxazole in chemical synthesis is its role as a precursor in the preparation of heterocyclic compounds. By incorporating 3-Phenylisoxazole into the molecular structure, chemists can access a diverse range of biologically active molecules with potential therapeutic uses. Additionally, 3-Phenylisoxazole can serve as a valuable intermediate in the synthesis of natural products and complex organic molecules.Furthermore, 3-Phenylisoxazole exhibits interesting reactivity patterns that make it a valuable tool in organic synthesis. Its ability to undergo various chemical transformations, such as electrophilic aromatic substitution and nucleophilic addition reactions, allows for the efficient construction of molecular frameworks with diverse functionalities. This versatility makes 3-Phenylisoxazole a valuable component in the toolbox of synthetic chemists for designing novel compounds with tailored properties.Overall, the strategic use of 3-Phenylisoxazole in chemical synthesis opens up exciting possibilities for the development of new molecules with potential applications in drug discovery, materials science, and other fields of research.

Literature

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  European journal of medicinal chemistry 20120801

• Fragment-based discovery of bromodomain inhibitors part 2: optimization of phenylisoxazole sulfonamides.

  Journal of medicinal chemistry 20120126

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  Bioorganic & medicinal chemistry letters 20110701

• Novel mechanism of inhibition of human angiotensin-I-converting enzyme (ACE) by a highly specific phosphinic tripeptide.

  The Biochemical journal 20110515

• Use of the nitrile oxide cycloaddition (NOC) reaction for molecular probe generation: a new class of enzyme selective histone deacetylase inhibitors (HDACIs) showing picomolar activity at HDAC6.

  Journal of medicinal chemistry 20080814

• Carbonic anhydrase inhibitors: Valdecoxib binds to a different active site region of the human isoform II as compared to the structurally related cyclooxygenase II 'selective' inhibitor celecoxib.

  Bioorganic & medicinal chemistry letters 20060115