3-BROMO-4-METHOXYTOLUENE


Chemical Name: 3-BROMO-4-METHOXYTOLUENE
CAS Number: 22002-45-5
Product Number: AG006XTS(AGN-PC-0WA886)
Synonyms:
MDL No:
Molecular Formula: C8H9BrO
Molecular Weight: 201.0605

Identification/Properties


Computed Properties
Molecular Weight:
201.063g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
199.984g/mol
Monoisotopic Mass:
199.984g/mol
Topological Polar Surface Area:
9.2A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
105
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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Chemical Structure



The compound Benzene, 2-bromo-1-methoxy-4-methyl-, also known as 2-bromo-4-methylanisole, is a versatile building block in chemical synthesis. This compound plays a crucial role in organic chemistry as a key intermediate for the synthesis of various pharmaceuticals, agrochemicals, and specialty chemicals. Its unique structure consisting of a benzene ring substituted with bromine, methoxy, and methyl groups imparts distinct properties that are utilized in a range of synthetic processes.In chemical reactions, Benzene, 2-bromo-1-methoxy-4-methyl- serves as a valuable electrophilic aromatic substitution reagent, enabling the introduction of functional groups onto aromatic rings. Its bromine substituent can undergo further transformations such as nucleophilic displacement reactions, facilitating the synthesis of diverse molecules with modified structures and properties. The methoxy and methyl groups provide additional sites for selective derivatization, allowing for fine-tuning of molecular characteristics.Moreover, Benzene, 2-bromo-1-methoxy-4-methyl- is employed in the construction of complex organic frameworks through cross-coupling reactions, annulation processes, and other strategic transformations. Its presence in the molecular scaffold imparts desirable steric and electronic effects that are crucial for guiding regioselectivity, stereoselectivity, and reactivity in various synthetic pathways. By incorporating this compound into synthetic routes, chemists can access a wide array of structurally diverse and biologically active compounds for applications in medicinal chemistry, materials science, and other fields.