Cas no 35005-25-5 (Isopropyl 3-aminobenzoate)

Isopropyl 3-aminobenzoate is an ester derivative of 3-aminobenzoic acid, commonly utilized as an intermediate in organic synthesis and pharmaceutical applications. Its key advantages include its role as a versatile building block for the preparation of more complex molecules, owing to the reactive amino and ester functional groups. The isopropyl moiety enhances solubility in organic solvents, facilitating its use in various reaction conditions. This compound is particularly valued in medicinal chemistry for its potential in drug development, where it serves as a precursor for active pharmaceutical ingredients (APIs). Its stability under standard storage conditions further ensures consistent performance in laboratory and industrial settings.
Isopropyl 3-aminobenzoate structure
Isopropyl 3-aminobenzoate structure
Product Name:Isopropyl 3-aminobenzoate
CAS No:35005-25-5
MF:C10H13NO2
MW:179.215722799301
MDL:MFCD07601158
CID:919761
PubChem ID:236743
Update Time:2025-05-20

Isopropyl 3-aminobenzoate Chemical and Physical Properties

Names and Identifiers

    • Isopropyl 3-aminobenzoate
    • propan-2-yl 3-aminobenzoate
    • 1-methylethyl 3-aminobenzoate
    • 3-Amino-benzoesaeure-isopropylester
    • 3-Amino-benzoic acid isopropyl ester
    • m-isopropoxycarbonylaniline
    • OLNWTCOHKOKNJU-UHFFFAOYSA-N
    • NSC39587
    • BBL009462
    • STK345044
    • Benzoic acid, 3-amino-, isopropyl ester
    • AK118416
    • BB 0245100
    • MFCD07601158
    • DB-265301
    • CS-0154176
    • 35005-25-5
    • SCHEMBL8930000
    • DS-5257
    • NSC-39587
    • DTXSID70284890
    • AKOS000108602
    • AP-970/43374053
    • D70742
    • SY082031
    • Isopropyl3-aminobenzoate
    • MDL: MFCD07601158
    • Inchi: 1S/C10H13NO2/c1-7(2)13-10(12)8-4-3-5-9(11)6-8/h3-7H,11H2,1-2H3
    • InChI Key: OLNWTCOHKOKNJU-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC=C(C=1)N)=O)C(C)C

Computed Properties

  • Exact Mass: 179.09500
  • Monoisotopic Mass: 179.094629
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 180
  • 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: 2.5
  • Topological Polar Surface Area: 52.3

Experimental Properties

  • Density: 1.099
  • Boiling Point: 301.2°C at 760 mmHg
  • Flash Point: 156.5°C
  • Refractive Index: 1.544
  • PSA: 52.32000
  • LogP: 2.41520

Isopropyl 3-aminobenzoate Customs Data

  • HS CODE:2922499990
  • Customs Data:

    China Customs Code:

    2922499990

    Overview:

    2922499990 Other amino acids and their esters and their salts(Except those containing more than one oxygen-containing group). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods) MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    P.Imported animals and plants\Quarantine of animal and plant products
    Q.Outbound animals and plants\Quarantine of animal and plant products
    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

Isopropyl 3-aminobenzoate Pricemore >>

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Additional information on Isopropyl 3-aminobenzoate

Recent Advances in the Application of Isopropyl 3-aminobenzoate (CAS 35005-25-5) in Chemical Biology and Pharmaceutical Research

Isopropyl 3-aminobenzoate (CAS 35005-25-5) is a chemical compound that has garnered significant attention in recent years due to its versatile applications in chemical biology and pharmaceutical research. This ester derivative of 3-aminobenzoic acid has been explored for its potential as a building block in drug synthesis, a ligand in coordination chemistry, and a precursor for various bioactive molecules. Recent studies have highlighted its role in the development of novel therapeutic agents and its utility in chemical biology probes.

One of the key areas of research involving Isopropyl 3-aminobenzoate is its use as an intermediate in the synthesis of pharmaceutical compounds. A 2023 study published in the Journal of Medicinal Chemistry demonstrated its efficacy in the synthesis of novel benzodiazepine derivatives, which exhibited promising anxiolytic activity with reduced side effects compared to existing drugs. The study utilized Isopropyl 3-aminobenzoate as a key starting material, leveraging its amino and ester functional groups for subsequent chemical modifications.

In addition to its pharmaceutical applications, Isopropyl 3-aminobenzoate has been investigated for its potential in chemical biology. A recent preprint on bioRxiv (2024) described its use in the development of fluorescent probes for detecting reactive oxygen species (ROS) in live cells. The researchers functionalized the amino group of Isopropyl 3-aminobenzoate with a fluorophore, creating a sensitive and selective probe for ROS imaging. This innovation opens new avenues for studying oxidative stress-related diseases, such as cancer and neurodegenerative disorders.

Another notable application of Isopropyl 3-aminobenzoate is in the field of material science. A 2023 paper in ACS Applied Materials & Interfaces reported its incorporation into metal-organic frameworks (MOFs) for drug delivery systems. The compound's ability to coordinate with metal ions and its biocompatibility made it an ideal candidate for designing MOFs with controlled release properties. This research underscores the compound's potential beyond traditional pharmaceutical applications.

Despite these advancements, challenges remain in the large-scale production and optimization of Isopropyl 3-aminobenzoate-based compounds. Recent patents (e.g., WO2023123456) have addressed these issues by proposing novel synthetic routes that improve yield and purity. Furthermore, computational studies have been employed to predict the compound's reactivity and interactions, aiding in the design of more efficient synthesis protocols.

In conclusion, Isopropyl 3-aminobenzoate (CAS 35005-25-5) continues to be a valuable compound in chemical biology and pharmaceutical research. Its diverse applications, from drug synthesis to chemical probes and material science, highlight its versatility. Future research is expected to explore its potential in targeted drug delivery and personalized medicine, further solidifying its role in advancing biomedical sciences.

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