19477-73-7 | 6-Bromo-3H-isobenzofuran-1-one

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$8.00	$5.00
1g	95%	in stock	$16.00	$11.00
5g	95%	in stock	$54.00	$38.00
10g	95%	in stock	$106.00	$75.00
25g	95%	in stock	$254.00	$178.00

Description

• Catalog Number: AD61997
• Chemical Name: 6-Bromo-3H-isobenzofuran-1-one
• CAS Number: 19477-73-7
• Molecular Formula: C8H5BrO2
• Molecular Weight: 213.0281
• MDL Number: MFCD03428561
• SMILES: Brc1ccc2c(c1)C(=O)OC2
• NSC Number: 95680

Computed Properties

• Complexity: 181
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 2
• XLogP3: 1.5

Upstream Synthesis Route

6-Bromoisobenzofuran-1(3H)-one is a key intermediate in organic synthesis, particularly in the field of pharmaceuticals and agrochemicals. This compound serves as a versatile building block for the construction of various complex molecules due to its unique structure and reactivity. In chemical synthesis, 6-Bromoisobenzofuran-1(3H)-one can undergo various functional group transformations, such as nucleophilic substitution, electrophilic aromatic substitution, and transition-metal-catalyzed reactions.One prominent application of 6-Bromoisobenzofuran-1(3H)-one is in the synthesis of biologically active compounds. By using this intermediate as a starting material, organic chemists can access a wide range of structurally diverse molecules with potential medicinal properties. Additionally, the bromo substituent on the benzofuran ring allows for further elaboration through cross-coupling reactions, enabling the introduction of various functional groups for fine-tuning the biological activity of the final products.Moreover, 6-Bromoisobenzofuran-1(3H)-one can participate in cascade reactions, multi-step sequences, and asymmetric transformations, making it a valuable tool for the efficient synthesis of complex molecules. Its strategic placement of functional groups and the electronic nature of the benzofuran scaffold contribute to the success of various synthetic methodologies utilized in modern drug discovery and development efforts.Overall, 6-Bromoisobenzofuran-1(3H)-one plays a crucial role in advancing the field of chemical synthesis by enabling the construction of novel compounds with potential applications in medicine, agriculture, and materials science.

Literature

• Synthesis and antibacterial activity of pentacyclines: a novel class of tetracycline analogs.

  Journal of medicinal chemistry 20110609