105655-17-2 | Methyl 4-amino-3-bromo-5-nitrobenzenecarboxylate

Packsize	Purity	Availability	Price	Discounted Price
100mg	98%	in stock	$16.00	$11.00
250mg	98%	in stock	$22.00	$15.00
1g	98%	in stock	$39.00	$27.00
5g	98%	in stock	$98.00	$69.00
25g	98%	in stock	$356.00	$249.00
100g	98%	in stock	$1,070.00	$749.00

Description

• Catalog Number: AD67256
• Chemical Name: Methyl 4-amino-3-bromo-5-nitrobenzenecarboxylate
• CAS Number: 105655-17-2
• Molecular Formula: C8H7BrN2O4
• Molecular Weight: 275.0562
• MDL Number: MFCD08443938
• SMILES: COC(=O)c1cc(Br)c(c(c1)[N+](=O)[O-])N

Computed Properties

• Complexity: 268
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 2.2

Upstream Synthesis Route

Methyl 4-amino-3-bromo-5-nitrobenzoate is a versatile compound commonly used in chemical synthesis for the preparation of various pharmaceuticals, agrochemicals, and pigments. This compound serves as a key building block in the synthesis of complex organic molecules due to its unique structure and reactivity.In chemical synthesis, Methyl 4-amino-3-bromo-5-nitrobenzoate can be employed as a precursor for the introduction of specific functional groups into target molecules. Its bromo and nitro substituents allow for further derivatization through various chemical reactions such as nucleophilic substitution, reduction, and coupling reactions. This enables chemists to modify the molecular structure and properties of the final product as needed for specific applications.Moreover, the presence of the amino group in Methyl 4-amino-3-bromo-5-nitrobenzoate offers opportunities for the formation of peptide bonds or other types of amide linkages in peptide synthesis or drug development. This compound can also participate in transition metal-catalyzed coupling reactions to facilitate the formation of carbon-carbon or carbon-heteroatom bonds, thus expanding its utility in synthetic chemistry.Overall, Methyl 4-amino-3-bromo-5-nitrobenzoate plays a crucial role in chemical synthesis by providing a versatile platform for the construction of diverse organic molecules with tailored structures and properties for various industrial and research applications.