1123-49-5 | 3,5-Dimethyl-4-nitroisoxazole

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$6.00	$4.00
5g	97%	in stock	$8.00	$6.00
25g	95%	in stock	$16.00	$12.00
100g	95%	in stock	$53.00	$38.00

Description

• Catalog Number: AD76642
• Chemical Name: 3,5-Dimethyl-4-nitroisoxazole
• CAS Number: 1123-49-5
• Molecular Formula: C5H6N2O3
• Molecular Weight: 142.1127
• MDL Number: MFCD00051656
• SMILES: [O-][N+](=O)c1c(C)noc1C
• NSC Number: 93420

Computed Properties

• Complexity: 144
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 4
• XLogP3: 1

Upstream Synthesis Route

3,5-Dimethyl-4-nitroisoxazole is a versatile compound widely used in chemical synthesis as a key building block for the preparation of various pharmaceuticals, agrochemicals, and functional materials. Its unique chemical structure and reactivity make it particularly valuable in organic synthesis processes.
One of the main applications of 3,5-Dimethyl-4-nitroisoxazole is as a precursor for the synthesis of heterocyclic compounds, which are commonly found in pharmaceutical drugs due to their diverse pharmacological activities. The presence of both nitro and methyl groups in the isoxazole ring provides opportunities for further functionalization through various chemical reactions, leading to the development of novel compounds with desired properties. Additionally, 3,5-Dimethyl-4-nitroisoxazole can be utilized in the synthesis of biologically active molecules, such as antimicrobial agents, anti-inflammatory drugs, and antitumor compounds. Its importance in chemical synthesis lies in its ability to serve as a key intermediate for the efficient construction of complex organic molecules with therapeutic value.

Literature

• Design, synthesis, in vitro antimicrobial and anticancer activity of novel methylenebis-isoxazolo[4,5-b]azepines derivatives.

  European journal of medicinal chemistry 20120401

• Synthesis and in vitro and in vivo anticancer activity of novel phenylmethylene bis-isoxazolo[4,5-b]azepines.

  Bioorganic & medicinal chemistry letters 20120101

• Virtual combinatorial syntheses and computational screening of new potential anti-herpes compounds.

  Journal of medicinal chemistry 19990826