553-86-6 | 3H-Benzofuran-2-one

Packsize	Purity	Availability	Price	Discounted Price
25g	98%	in stock	$12.00	$9.00
100g	≥98%	in stock	$43.00	$30.00
500g	98%	in stock	$79.00	$55.00

Description

• Catalog Number: AI52396
• Chemical Name: 3H-Benzofuran-2-one
• CAS Number: 553-86-6
• Molecular Formula: C8H6O2
• Molecular Weight: 134.1320
• MDL Number: MFCD00005856
• SMILES: O=C1Cc2c(O1)cccc2
• NSC Number: 227414

Computed Properties

• Complexity: 153
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 2
• XLogP3: 1.3

Upstream Synthesis Route

Benzofuran-2(3H)-one, also known as coumarin, is a versatile compound widely used in chemical synthesis due to its unique properties and versatile reactivity. In organic chemistry, it serves as a key building block for the synthesis of various pharmaceuticals, fragrances, and agrochemicals. Its aromatic structure and functional groups make it a valuable precursor in the development of new compounds with interesting biological activities.One of the notable applications of benzofuran-2(3H)-one is in the production of coumarin-based drugs, including anticoagulants and antihypertensive agents. Its ability to undergo diverse chemical transformations, such as oxidation, reduction, and substitution reactions, allows for the modification of its structure to achieve desired pharmacological properties.Furthermore, benzofuran-2(3H)-one is utilized in the fragrance industry for its pleasant sweet odor reminiscent of vanilla. Coumarin derivatives are commonly employed as fragrance ingredients in perfumes, cosmetics, and household products. Through strategic modifications to its chemical structure, chemists can create custom fragrances with unique olfactory profiles.In summary, Benzofuran-2(3H)-one plays a crucial role in chemical synthesis, enabling the creation of novel pharmaceuticals, fragrances, and other valuable compounds. Its wide-ranging applications make it a fundamental component of modern organic chemistry research and development.

Literature

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