Cas no 1131614-38-4 (Pentyl 4-amino-3-iodobenzoate)

Pentyl 4-amino-3-iodobenzoate is a benzoate ester derivative featuring both an amino and an iodo functional group on the aromatic ring. This compound is of interest in synthetic organic chemistry due to its versatile reactivity, particularly in cross-coupling reactions and as a building block for pharmaceuticals or advanced materials. The presence of the iodine substituent enables further functionalization via halogen exchange or metal-catalyzed transformations, while the amino group offers opportunities for derivatization. Its pentyl ester moiety enhances solubility in organic solvents, facilitating handling in various reaction conditions. This compound is primarily utilized in research and development for constructing complex molecular architectures.
Pentyl 4-amino-3-iodobenzoate structure
Pentyl 4-amino-3-iodobenzoate structure
Product Name:Pentyl 4-amino-3-iodobenzoate
CAS No:1131614-38-4
MF:C12H16INO2
MW:333.165415763855
CID:1030625
PubChem ID:44829102
Update Time:2025-05-19

Pentyl 4-amino-3-iodobenzoate Chemical and Physical Properties

Names and Identifiers

    • Pentyl 4-amino-3-iodobenzoate
    • A802880
    • Pentyl4-amino-3-iodobenzoate
    • DTXSID50661185
    • DB-060409
    • 1131614-38-4
    • 4-amino-3-iodobenzoic acid pentyl ester;
    • SB83454
    • AKOS015843159
    • Inchi： 1S/C12H16INO2/c1-2-3-4-7-16-12(15)9-5-6-11(14)10(13)8-9/h5-6,8H,2-4,7,14H2,1H3
    • InChI Key： NDFXZCWMHBUJCD-UHFFFAOYSA-N
    • SMILES： IC1=C(C=CC(=C1)C(=O)OCCCCC)N

Computed Properties

  • Exact Mass: 333.02258g/mol
  • Monoisotopic Mass: 333.02258g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 223
  • 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: 4.1
  • Topological Polar Surface Area: 52.3?2

Pentyl 4-amino-3-iodobenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A019096055-1g
Pentyl 4-amino-3-iodobenzoate
 1131614-38-4 95%
1g
 $400.00 2023-09-04
Ambeed
A195865-1g
Pentyl 4-amino-3-iodobenzoate
 1131614-38-4 95+%
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 $329.0 2024-04-26
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1757721-1g
Pentyl 4-amino-3-iodobenzoate
 1131614-38-4 98%
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Crysdot LLC
CD12179290-1g
Pentyl 4-amino-3-iodobenzoate
 1131614-38-4 95+%
1g
 $407 2024-07-23

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