82104-74-3 | 5-Cyanophthalide

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$15.00	$10.00
5g	97%	in stock	$16.00	$11.00
25g	97%	in stock	$20.00	$14.00
100g	97%	in stock	$79.00	$55.00
500g	97%	in stock	$231.00	$162.00

Description

• Catalog Number: AC46422
• Chemical Name: 5-Cyanophthalide
• CAS Number: 82104-74-3
• Molecular Formula: C9H5NO2
• Molecular Weight: 159.1415
• MDL Number: MFCD01072882
• SMILES: N#Cc1ccc2c(c1)COC2=O

Computed Properties

• Complexity: 253
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 3
• XLogP3: 0.5

Upstream Synthesis Route

5-Isobenzofurancarbonitrile, 1,3-dihydro-1-oxo-, is a versatile compound widely used in chemical synthesis due to its unique properties and reactivity. This compound serves as a valuable intermediate in the production of various organic compounds, including pharmaceuticals, agrochemicals, and specialty chemicals.In chemical synthesis, 5-Isobenzofurancarbonitrile, 1,3-dihydro-1-oxo-, plays a crucial role as a building block for the construction of complex molecular structures. Its carbonitrile group provides a site for further functionalization, allowing for the introduction of diverse functional groups to tailor the compound's properties for specific applications. Furthermore, the presence of the isobenzofuran ring confers aromaticity and stability to the molecule, making it a suitable starting material for various synthetic pathways.This compound is particularly prized for its ability to undergo diverse chemical transformations, such as nucleophilic addition, substitution, and cyclization reactions. These reactions enable chemists to access a wide range of derivatives with tailored properties, making it a sought-after compound in the realm of organic synthesis.Overall, 5-Isobenzofurancarbonitrile, 1,3-dihydro-1-oxo-, stands as a valuable tool in the hands of synthetic chemists, offering a versatile platform for the creation of novel molecules with potential applications in various industries.

Literature

• A new alternative synthesis of 5-cyanophthalide, a versatile intermediate in the preparation of the antidepressant drug citalopram.

  Farmaco (Societa chimica italiana : 1989) 20010901