117572-79-9 | 3-Bromo-4-methoxybenzonitrile

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$6.00	$4.00
5g	>97%	in stock	$18.00	$12.00
10g	>97%	in stock	$23.00	$16.00
25g	>97%	in stock	$56.00	$39.00
100g	>97%	in stock	$220.00	$154.00

Description

• Catalog Number: AB64467
• Chemical Name: 3-Bromo-4-methoxybenzonitrile
• CAS Number: 117572-79-9
• Molecular Formula: C8H6BrNO
• Molecular Weight: 212.0433
• MDL Number: MFCD00143097
• SMILES: N#Cc1ccc(c(c1)Br)OC

Computed Properties

• Complexity: 174
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• XLogP3: 2.3

Upstream Synthesis Route

3-Bromo-4-methoxybenzonitrile is a versatile chemical compound that finds wide application in organic synthesis. This compound serves as a valuable building block in the production of pharmaceuticals, agrochemicals, and various specialty chemicals. Its unique structural properties make it a key intermediate in the synthesis of diverse functional materials and biologically active compounds. In particular, 3-Bromo-4-methoxybenzonitrile is utilized in the preparation of heterocyclic compounds, which are important scaffolds in drug discovery and materials science. Its reactivity allows for the introduction of functional groups at specific positions, enabling chemists to tailor molecules for desired properties and functionalities. This compound plays a crucial role in the development of novel compounds with potential applications in various industrial sectors.

Literature

• Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

  Bioorganic & medicinal chemistry letters 20101101