Cas no 1131605-45-2 (Benzyl 2-amino-5-iodobenzoate)

Benzyl 2-amino-5-iodobenzoate is a halogenated aromatic ester with a molecular formula of C14H12INO2. This compound features both an amino group and an iodine substituent on the benzoate ring, making it a versatile intermediate in organic synthesis and pharmaceutical research. The benzyl ester group enhances solubility in organic solvents, facilitating further functionalization. Its iodine moiety allows for cross-coupling reactions, such as Suzuki or Sonogashira couplings, enabling the construction of complex molecular architectures. The amino group provides a reactive site for derivatization, supporting applications in drug discovery and material science. This compound is valued for its stability and synthetic utility in constructing iodinated aromatic frameworks.
Benzyl 2-amino-5-iodobenzoate structure
Benzyl 2-amino-5-iodobenzoate structure
Product Name:Benzyl 2-amino-5-iodobenzoate
CAS No:1131605-45-2
MF:C14H12INO2
MW:353.155055999756
CID:1030715
PubChem ID:44829087
Update Time:2025-10-29

Benzyl 2-amino-5-iodobenzoate Chemical and Physical Properties

Names and Identifiers

    • Benzyl 2-amino-5-iodobenzoate
    • A802854
    • AKOS009166940
    • Benzyl2-amino-5-iodobenzoate
    • SB82740
    • DB-060390
    • DTXSID00661170
    • 1131605-45-2
    • Inchi: 1S/C14H12INO2/c15-11-6-7-13(16)12(8-11)14(17)18-9-10-4-2-1-3-5-10/h1-8H,9,16H2
    • InChI Key: IBJXNELMOQNUEC-UHFFFAOYSA-N
    • SMILES: IC1C=CC(=C(C=1)C(=O)OCC1C=CC=CC=1)N

Computed Properties

  • Exact Mass: 352.99128g/mol
  • Monoisotopic Mass: 352.99128g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 279
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.9
  • Topological Polar Surface Area: 52.3?2

Benzyl 2-amino-5-iodobenzoate Pricemore >>

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