Cas no 1131588-11-8 (3-Iodo-4-(isopropylamino)benzoic acid)

3-Iodo-4-(isopropylamino)benzoic acid is a halogenated benzoic acid derivative featuring both an iodine substituent and an isopropylamino functional group. This compound is of interest in synthetic organic chemistry, particularly as a building block for pharmaceuticals and agrochemicals due to its versatile reactivity. The iodine moiety enables further functionalization via cross-coupling reactions, while the isopropylamino group enhances solubility and potential bioactivity. Its well-defined structure and stability make it suitable for use in intermediate synthesis, ligand design, and medicinal chemistry research. The compound is typically handled under standard laboratory conditions, with purity and consistency being critical for reproducible results in synthetic applications.
3-Iodo-4-(isopropylamino)benzoic acid structure
1131588-11-8 structure
Product Name:3-Iodo-4-(isopropylamino)benzoic acid
CAS No:1131588-11-8
MF:C10H12INO2
MW:305.112255096436
CID:1015747
PubChem ID:44828867
Update Time:2025-10-21

3-Iodo-4-(isopropylamino)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Iodo-4-(isopropylamino)benzoic acid
    • 3-iodo-4-(propan-2-ylamino)benzoic acid
    • 3-iodanyl-4-(propan-2-ylamino)benzoic acid
    • AK133699
    • CTK8E2078
    • FT-0655024
    • KB-145109
    • SBB067968
    • DB-060339
    • 1131588-11-8
    • A802822
    • DTXSID50660956
    • 3-Iodo-4-[(propan-2-yl)amino]benzoic acid
    • SB83106
    • AKOS015841667
    • 3-iodo-4-(isopropylamino)benzoicacid
    • Inchi: 1S/C10H12INO2/c1-6(2)12-9-4-3-7(10(13)14)5-8(9)11/h3-6,12H,1-2H3,(H,13,14)
    • InChI Key: LJUWLIQVMGROKG-UHFFFAOYSA-N
    • SMILES: IC1C=C(C(=O)O)C=CC=1NC(C)C

Computed Properties

  • Exact Mass: 304.99128g/mol
  • Monoisotopic Mass: 304.99128g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 208
  • 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: 2.9
  • Topological Polar Surface Area: 49.3?2

3-Iodo-4-(isopropylamino)benzoic acid Pricemore >>

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3-Iodo-4-(isopropylamino)benzoic acid Related Literature

Additional information on 3-Iodo-4-(isopropylamino)benzoic acid

Comprehensive Overview of 3-Iodo-4-(isopropylamino)benzoic acid (CAS No. 1131588-11-8)

3-Iodo-4-(isopropylamino)benzoic acid (CAS 1131588-11-8) is a specialized organic compound with significant applications in pharmaceutical research and synthetic chemistry. This iodinated benzoic acid derivative is characterized by its unique structural features, including an isopropylamino group and an iodo substitution at the 3-position of the aromatic ring. These functional groups contribute to its reactivity and potential as a building block in drug discovery.

The compound's molecular formula and structural properties make it particularly valuable in medicinal chemistry, where researchers explore its potential as an intermediate for targeted therapies. Recent trends in small molecule drug development have increased interest in halogenated compounds like 3-Iodo-4-(isopropylamino)benzoic acid, as they often exhibit improved bioavailability and binding affinity to biological targets.

From a synthetic chemistry perspective, the iodo moiety in CAS 1131588-11-8 offers excellent opportunities for further functionalization through cross-coupling reactions, particularly palladium-catalyzed transformations. This makes the compound a versatile intermediate for constructing more complex molecular architectures. Researchers frequently search for information about its synthetic applications, purification methods, and storage conditions, reflecting the practical needs of laboratory professionals.

The physicochemical properties of 3-Iodo-4-(isopropylamino)benzoic acid, including its solubility profile and stability characteristics, are crucial considerations for researchers. Many queries in scientific databases focus on its solubility in organic solvents and compatibility with various reaction conditions. These parameters directly influence its utility in multi-step synthetic sequences and formulation development.

In the context of current drug discovery trends, this compound has gained attention for its potential role in developing kinase inhibitors and GPCR-targeted compounds. The pharmaceutical industry's growing focus on personalized medicine and precision therapeutics has created renewed interest in structurally diverse building blocks like 3-Iodo-4-(isopropylamino)benzoic acid.

Quality control aspects of CAS 1131588-11-8 are another area of frequent inquiry. Analytical methods for purity determination, including HPLC analysis and spectroscopic characterization (NMR, MS), are essential topics for researchers sourcing this material. The compound's storage stability under various conditions and appropriate packaging materials are also common search themes among laboratory professionals.

From a commercial availability standpoint, 3-Iodo-4-(isopropylamino)benzoic acid is typically supplied by specialty chemical manufacturers catering to the pharmaceutical intermediates market. Procurement specialists often search for information about bulk quantities, custom synthesis options, and technical specifications when evaluating suppliers for this compound.

The environmental and handling considerations for this material are appropriately addressed through standard laboratory safety protocols. While not classified as hazardous under normal handling conditions, proper personal protective equipment and ventilation are recommended when working with this compound, as with all laboratory chemicals.

Emerging applications of 3-Iodo-4-(isopropylamino)benzoic acid in material science and agrochemical research have expanded its potential utility beyond traditional pharmaceutical uses. Its structural features make it interesting for developing functional materials with specific electronic or optical properties.

For researchers considering scale-up of processes involving this intermediate, key factors include cost-effectiveness of synthetic routes, yield optimization, and waste minimization strategies. These practical considerations are increasingly important in the current research climate emphasizing sustainable chemistry practices.

The intellectual property landscape surrounding CAS 1131588-11-8 is another area of interest, with researchers frequently examining patent literature for disclosed synthetic methods and applications. This compound appears in several patent applications related to medicinal chemistry innovations, particularly in therapeutic areas requiring structural diversity.

From an analytical chemistry perspective, the characterization data for 3-Iodo-4-(isopropylamino)benzoic acid, including spectral signatures and chromatographic behavior, are valuable references for quality control laboratories. These technical details help ensure proper identification and purity assessment of the material in research settings.

Future research directions for this compound may explore its potential in bioconjugation chemistry or as a scaffold for combinatorial library development. The growing field of fragment-based drug discovery could particularly benefit from the structural features present in this molecule.

In summary, 3-Iodo-4-(isopropylamino)benzoic acid (CAS 1131588-11-8) represents a valuable synthetic intermediate with diverse applications in pharmaceutical research and beyond. Its unique combination of functional groups and reactivity profile continues to make it relevant in contemporary drug discovery efforts and chemical synthesis methodologies.

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