Cas no 127168-70-1 (2-Benzyl-2,3-dihydro-1H-isoindol-5-ylamine)

2-Benzyl-2,3-dihydro-1H-isoindol-5-ylamine is a substituted isoindoline derivative featuring a benzyl group at the 2-position and an amine functional group at the 5-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its rigid isoindoline scaffold provides structural stability, while the reactive amine group enables further functionalization through coupling or derivatization reactions. The benzyl moiety enhances lipophilicity, potentially improving bioavailability in drug design applications. This compound is particularly valuable in medicinal chemistry for constructing biologically active molecules targeting central nervous system disorders or as a precursor for heterocyclic frameworks. Proper handling under inert conditions is recommended due to the amine's sensitivity.
2-Benzyl-2,3-dihydro-1H-isoindol-5-ylamine structure
127168-70-1 structure
Product Name:2-Benzyl-2,3-dihydro-1H-isoindol-5-ylamine
CAS No:127168-70-1
MF:C15H16N2
MW:224.300943374634
MDL:MFCD07186379
CID:892620
Update Time:2026-04-29

2-Benzyl-2,3-dihydro-1H-isoindol-5-ylamine Chemical and Physical Properties

Names and Identifiers

    • 2-Benzylisoindolin-5-amine
    • 2-Benzyl-2,3-dihydro-1H-isoindol-5-ylamine
    • 2‐BENZYL‐2,3‐DIHYDRO‐1H‐ISOINDOL‐5‐YLAMINE
    • 2-benzyl-1,3-dihydroisoindol-5-amine
    • B90101
    • TIMTEC-BB SBB011535
    • [2-(benzyl)isoindolin-5-yl]amine
    • 2-(phenylmethyl)isoindolin-5-amine
    • 2-(phenylmethyl)-5-isoindolinamine
    • 2-(phenylmethyl)-1,3-dihydroisoindol-5-amine
    • MDL: MFCD07186379
    • Inchi: InChI=1S/C15H16N2/c16-15-7-6-13-10-17(11-14(13)8-15)9-12-4-2-1-3-5-12/h1-8H,9-11,16H2
    • InChI Key: APHDKXQNTZQBHW-UHFFFAOYSA-N
    • SMILES: C1=CC=C(C=C1)CN2CC3=CC=C(C=C3C2)N

Computed Properties

  • Exact Mass: 224.13100
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2

Experimental Properties

  • PSA: 29.26000
  • LogP: 3.30370

2-Benzyl-2,3-dihydro-1H-isoindol-5-ylamine Security Information

  • Hazard Category Code: 22
  • Hazardous Material Identification: Xi Xn
  • HazardClass:IRRITANT

2-Benzyl-2,3-dihydro-1H-isoindol-5-ylamine 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%

2-Benzyl-2,3-dihydro-1H-isoindol-5-ylamine Pricemore >>

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2-Benzyl-2,3-dihydro-1H-isoindol-5-ylamine Related Literature

Additional information on 2-Benzyl-2,3-dihydro-1H-isoindol-5-ylamine

Comprehensive Overview of 2-Benzyl-2,3-dihydro-1H-isoindol-5-ylamine (CAS No. 127168-70-1)

2-Benzyl-2,3-dihydro-1H-isoindol-5-ylamine (CAS No. 127168-70-1) is a specialized organic compound that has garnered significant attention in pharmaceutical and biochemical research due to its unique structural properties. This compound, often referred to by its CAS number 127168-70-1, belongs to the isoindoline family, a class of heterocyclic compounds known for their versatility in drug discovery and material science. Researchers are particularly interested in its potential applications as a building block for central nervous system (CNS) therapeutics, given its structural similarity to bioactive molecules.

The growing demand for novel pharmaceutical intermediates has placed compounds like 2-Benzyl-2,3-dihydro-1H-isoindol-5-ylamine in the spotlight. Recent trends in AI-driven drug discovery and high-throughput screening have further amplified its relevance, as scientists explore its interactions with neurotransmitter receptors. Questions such as "What are the synthetic routes for CAS 127168-70-1?" or "How does 2-Benzyl-2,3-dihydro-1H-isoindol-5-ylamine compare to other CNS-targeting scaffolds?" are frequently searched in academic and industrial databases, reflecting its importance in modern medicinal chemistry.

From a synthetic perspective, 127168-70-1 is typically prepared through multi-step organic reactions involving reductive amination or cyclization strategies. Its benzyl-substituted isoindoline core offers steric and electronic features that are advantageous for modulating bioavailability and receptor binding affinity. These characteristics make it a valuable candidate for optimizing lead compounds in preclinical studies. Notably, its stability under physiological conditions has been a topic of discussion in forums focused on ADME (Absorption, Distribution, Metabolism, Excretion) properties.

In the context of green chemistry, researchers are also investigating eco-friendly synthesis methods for 2-Benzyl-2,3-dihydro-1H-isoindol-5-ylamine, aligning with global sustainability goals. Searches like "CAS 127168-70-1 solvent-free synthesis" or "catalytic approaches for isoindoline derivatives" highlight this shift. Additionally, computational studies using molecular docking tools have predicted its potential interactions with G-protein-coupled receptors (GPCRs), a hot topic in precision medicine.

Quality control and analytical profiling of CAS No. 127168-70-1 rely heavily on techniques such as HPLC, NMR spectroscopy, and mass spectrometry. These methods ensure the compound's purity, which is critical for reproducible research outcomes. The compound's logP and pKa values, often queried in cheminformatics platforms, further underscore its pharmacokinetic relevance. As the pharmaceutical industry leans toward fragment-based drug design, 2-Benzyl-2,3-dihydro-1H-isoindol-5-ylamine continues to serve as a promising molecular fragment.

In summary, 2-Benzyl-2,3-dihydro-1H-isoindol-5-ylamine (CAS No. 127168-70-1) represents a compelling case study at the intersection of organic synthesis, medicinal chemistry, and computational biology. Its adaptability to diverse research needs—from neuroscience to sustainable synthesis—positions it as a compound of enduring scientific interest. Future studies may explore its derivatives for tailored therapeutic applications, answering yet-unaddressed questions in the field.

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