111331-82-9 | Boc-3-aminobenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$9.00	$7.00
5g	98%	in stock	$13.00	$10.00
25g	98%	in stock	$39.00	$28.00
500g	98%	in stock	$625.00	$437.00

Description

• Catalog Number: AB71425
• Chemical Name: Boc-3-aminobenzoic acid
• CAS Number: 111331-82-9
• Molecular Formula: C12H15NO4
• Molecular Weight: 237.2518
• MDL Number: MFCD00235884
• SMILES: O=C(OC(C)(C)C)Nc1cccc(c1)C(=O)O

Computed Properties

• Complexity: 295
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 17
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 4
• XLogP3: 2.7

Upstream Synthesis Route

Boc-3-aminobenzoic acid, also known as tert-butoxycarbonyl-3-aminobenzoic acid, is a versatile compound widely used in chemical synthesis. As a derivative of 3-aminobenzoic acid, it serves as a crucial building block in the preparation of various pharmaceuticals and organic compounds.In chemical synthesis, Boc-3-aminobenzoic acid is commonly employed as a protecting group for the amine functionality. By selectively masking the amino group with the tert-butoxycarbonyl (Boc) group, this compound helps to prevent unwanted reactions at this site during the synthesis of complex molecules. The Boc group can be easily removed under mild conditions, revealing the free amine group for further chemical modification.Furthermore, Boc-3-aminobenzoic acid plays a significant role in peptide synthesis. Peptides are chains of amino acids linked by peptide bonds, and the incorporation of Boc-3-aminobenzoic acid into peptide sequences allows for controlled assembly of specific peptide structures. After peptide elongation, the Boc group can be selectively cleaved off to expose the newly formed N-terminal amino acid for subsequent coupling reactions.Overall, the strategic use of Boc-3-aminobenzoic acid in chemical synthesis enables chemists to achieve precise control over functional group manipulations, facilitating the synthesis of complex molecules and peptides with high efficiency and selectivity.

Literature

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

  Bioorganic & medicinal chemistry letters 20101101