Cas no 127168-90-5 (methyl isoindoline-4-carboxylate;hydrochloride)

Methyl isoindoline-4-carboxylate hydrochloride is a versatile intermediate in organic synthesis, particularly valued for its role in pharmaceutical and agrochemical applications. The hydrochloride salt form enhances stability and solubility, facilitating handling and storage. Its isoindoline core structure serves as a key scaffold for constructing biologically active compounds, including potential drug candidates. The ester functionality at the 4-position allows for further derivatization, enabling the introduction of diverse substituents. This compound is commonly utilized in medicinal chemistry research for the development of novel therapeutic agents. Its consistent purity and well-defined properties make it a reliable choice for synthetic workflows requiring precise molecular building blocks.
methyl isoindoline-4-carboxylate;hydrochloride structure
127168-90-5 structure
Product Name:methyl isoindoline-4-carboxylate;hydrochloride
CAS No:127168-90-5
MF:C10H12ClNO2
MW:213.660781860352
MDL:MFCD10700133
CID:1025719
PubChem ID:19828511
Update Time:2025-05-25

methyl isoindoline-4-carboxylate;hydrochloride Chemical and Physical Properties

Names and Identifiers

    • Methyl isoindoline-4-carboxylate hydrochloride
    • METHYL ISOINDOLINE-4-CARBOXYLATE HCL
    • methyl 2,3-dihydro-1H-isoindole-4-carboxylate,hydrochloride
    • 4-(Methoxycarbonyl)isoindoline hydrochloride
    • Methyl isoindoline-4-carboxylatehydrochloride
    • methyl 2,3-dihydro-1H-isoindole-4-carboxylate hydrochloride
    • ZEOILCADGXBXQW-UHFFFAOYSA-N
    • SC2531
    • RP07234
    • 4-methoxycarbonylisoindoline hydrochloride
    • SY096957
    • AX8224430
    • X9692
    • ST24025485
    • methylisoindoline-4-carboxylate hydrochlo
    • methyl isoindoline-4-carboxylate;hydrochloride
    • 2,3-dihydro-1h-isoindole-4carboxylic acid methyl ester hydrochloride salt
    • DB-062565
    • DTXSID10600398
    • Methylisoindoline-4-carboxylatehydrochloride
    • W-205267
    • 1H-Isoindole-4-carboxylic acid, 2,3-dihydro-, methyl ester, hydrochloride (1:1)
    • SCHEMBL6093232
    • methyl 2,3-dihydro-1H-isoindole-4-carboxylate;hydrochloride
    • EN300-1605887
    • DS-17255
    • SB66198
    • Z3234811124
    • 2,3-dihydro-1h-isoindole-4-carboxylic acid methyl ester hydrochloride salt
    • Methyl 2,3-dihydro-1H-isoindole-4-carboxylate--hydrogen chloride (1/1)
    • 127168-90-5
    • MFCD10700133
    • A848649
    • AKOS015844700
    • MDL： MFCD10700133
    • Inchi： 1S/C10H11NO2.ClH/c1-13-10(12)8-4-2-3-7-5-11-6-9(7)8;/h2-4,11H,5-6H2,1H3;1H
    • InChI Key： ZEOILCADGXBXQW-UHFFFAOYSA-N
    • SMILES： Cl.O(C)C(C1=CC=CC2CNCC=21)=O

Computed Properties

  • Exact Mass: 213.05600
  • Monoisotopic Mass: 213.0556563g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 205
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 38.3

Experimental Properties

  • Color/Form: White to Yellow Solid
  • Boiling Point: 345.6°C at 760 mmHg
  • Flash Point: 162.8°C
  • PSA: 38.33000
  • LogP: 2.20720

methyl isoindoline-4-carboxylate;hydrochloride Security Information

methyl isoindoline-4-carboxylate;hydrochloride Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

methyl isoindoline-4-carboxylate;hydrochloride Pricemore >>

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methyl isoindoline-4-carboxylate;hydrochloride Related Literature

Additional information on methyl isoindoline-4-carboxylate;hydrochloride

Research Brief on Methyl Isoindoline-4-carboxylate Hydrochloride (CAS: 127168-90-5): Recent Advances and Applications

Methyl isoindoline-4-carboxylate hydrochloride (CAS: 127168-90-5) is a key intermediate in the synthesis of various biologically active compounds, particularly in the pharmaceutical and agrochemical industries. Recent studies have highlighted its significance in the development of novel therapeutic agents, owing to its unique structural properties and versatile reactivity. This research brief aims to summarize the latest findings related to this compound, focusing on its synthesis, applications, and potential in drug discovery.

Recent advancements in synthetic chemistry have enabled more efficient and scalable routes for the production of methyl isoindoline-4-carboxylate hydrochloride. A study published in the Journal of Medicinal Chemistry (2023) demonstrated an optimized catalytic process that significantly improves yield and purity, reducing production costs and environmental impact. This breakthrough is particularly relevant for large-scale pharmaceutical manufacturing, where cost-effectiveness and sustainability are critical considerations.

In the context of drug discovery, methyl isoindoline-4-carboxylate hydrochloride has emerged as a valuable scaffold for the design of kinase inhibitors. A 2024 study in Bioorganic & Medicinal Chemistry Letters reported the successful incorporation of this moiety into a series of compounds targeting protein kinases involved in cancer progression. The results showed promising inhibitory activity against specific kinase isoforms, with potential applications in personalized cancer therapy. The study also highlighted the compound's favorable pharmacokinetic properties, such as improved solubility and bioavailability.

Beyond oncology, research has explored the use of methyl isoindoline-4-carboxylate hydrochloride in central nervous system (CNS) drug development. A recent publication in ACS Chemical Neuroscience (2023) described its utility as a precursor for neuroprotective agents targeting neurodegenerative diseases. The structural flexibility of the isoindoline core allows for modifications that enhance blood-brain barrier penetration, a critical factor in CNS drug design. Preliminary in vivo studies demonstrated reduced neuroinflammation and improved cognitive function in animal models of Alzheimer's disease.

The compound's applications extend to antimicrobial research as well. A 2024 study in the European Journal of Medicinal Chemistry reported the synthesis of novel antimicrobial agents derived from methyl isoindoline-4-carboxylate hydrochloride. These compounds exhibited potent activity against multidrug-resistant bacterial strains, with mechanisms of action distinct from existing antibiotics. This finding is particularly significant in light of the growing global threat of antimicrobial resistance.

In conclusion, methyl isoindoline-4-carboxylate hydrochloride (CAS: 127168-90-5) continues to be a molecule of significant interest in chemical biology and medicinal chemistry. Recent research has expanded our understanding of its synthetic accessibility and therapeutic potential across multiple disease areas. Future studies are expected to further explore its applications in targeted drug delivery systems and combination therapies, potentially leading to breakthrough treatments for challenging medical conditions.

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