Cas no 916792-03-5 (2,3,3-Trimethyl-5-nitroindoline)

2,3,3-Trimethyl-5-nitroindoline is a nitro-substituted indoline derivative with potential applications in pharmaceutical and agrochemical research. Its structural features, including the nitro group at the 5-position and the trimethyl substitution on the indoline core, make it a valuable intermediate for synthesizing more complex heterocyclic compounds. The compound exhibits stability under standard conditions, facilitating handling and storage. Its reactivity profile allows for further functionalization, enabling its use in the development of bioactive molecules. Researchers may explore its utility in medicinal chemistry, particularly in the design of compounds with potential therapeutic effects. The product is typically supplied with high purity to ensure consistency in experimental results.
2,3,3-Trimethyl-5-nitroindoline structure
916792-03-5 structure
Product Name:2,3,3-Trimethyl-5-nitroindoline
CAS No:916792-03-5
MF:C11H14N2O2
MW:206.241062641144
CID:821587
PubChem ID:12929983
Update Time:2025-05-22

2,3,3-Trimethyl-5-nitroindoline Chemical and Physical Properties

Names and Identifiers

    • 2,3,3-Trimethyl-5-nitroindoline
    • 2,3,3-trimethyl-5-nitro-1,2-dihydroindole
    • 5-NITRO-2,3,3-TRIMETHYLINDOLINE
    • 2,3,3-tri-methyl-5-nitroindoline
    • AMY14616
    • SCHEMBL9176307
    • DTXSID50513236
    • SB64783
    • A860265
    • A822434
    • 916792-03-5
    • 2,3,3-Trimethyl-5-nitro-2,3-dihydro-1H-indole
    • AKOS015998794
    • 1H-Indole, 2,3-dihydro-2,3,3-trimethyl-5-nitro-
    • MDL: MFCD07782090
    • Inchi: 1S/C11H14N2O2/c1-7-11(2,3)9-6-8(13(14)15)4-5-10(9)12-7/h4-7,12H,1-3H3
    • InChI Key: KHQOPJVEBBOOLI-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=CC2=C(C=1)C(C)(C)C(C)N2)=O

Computed Properties

  • Exact Mass: 206.10600
  • Monoisotopic Mass: 206.105527694g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 272
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 57.8?2

Experimental Properties

  • PSA: 57.85000
  • LogP: 3.34760

2,3,3-Trimethyl-5-nitroindoline Security Information

  • Storage Condition:Sealed in dry,2-8°C

2,3,3-Trimethyl-5-nitroindoline 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%

2,3,3-Trimethyl-5-nitroindoline Pricemore >>

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Additional information on 2,3,3-Trimethyl-5-nitroindoline

2,3,3-Trimethyl-5-nitroindoline: A Comprehensive Overview

2,3,3-Trimethyl-5-nitroindoline, also known by its CAS number CAS 916792-03-5, is a chemical compound that has garnered significant attention in the fields of organic chemistry and materials science. This compound belongs to the class of indolines, which are heterocyclic compounds with a six-membered benzene ring fused to a five-membered nitrogen-containing ring. The presence of nitro and methyl substituents in its structure imparts unique electronic and steric properties, making it a valuable compound for various applications.

The molecular structure of 2,3,3-trimethyl-5-nitroindoline consists of a central indoline ring with three methyl groups attached at positions 2 and 3 (with two methyl groups at position 3) and a nitro group at position 5. This arrangement creates a molecule with both electron-donating and electron-withdrawing groups, which can influence its reactivity and stability. Recent studies have explored the synthesis of this compound through various methods, including condensation reactions and catalytic processes. These studies have highlighted the importance of reaction conditions such as temperature, solvent choice, and catalyst selection in achieving high yields and purity.

One of the most promising applications of 2,3,3-trimethyl-5-nitroindoline lies in its use as an intermediate in the synthesis of more complex organic molecules. For instance, researchers have utilized this compound as a building block for constructing bioactive compounds with potential pharmaceutical applications. The nitro group in the molecule can undergo reduction to form an amino group, which is a common functional group in drug molecules. Additionally, the methyl groups provide steric hindrance, which can be advantageous in controlling the reactivity and selectivity of subsequent reactions.

In recent years, there has been growing interest in exploring the electrochemical properties of CAS 916792-03-5. Studies have shown that this compound exhibits interesting redox behavior due to the conjugated system formed by the indoline ring and the nitro group. This property makes it a potential candidate for use in organic electronics, such as organic field-effect transistors (OFETs) and light-emitting diodes (OLEDs). Researchers have also investigated its ability to act as a charge transport layer in these devices, demonstrating promising results that could pave the way for its integration into next-generation electronic materials.

The synthesis of 2,3,3-trimethyl-5-nitroindoline has been optimized through various methodologies. One notable approach involves the condensation of o-nitrotoluene with an appropriate ketone or aldehyde derivative under acidic or basic conditions. This method has been shown to yield high-quality product with excellent purity when carried out under controlled conditions. Furthermore, advancements in catalytic systems have enabled greener synthesis routes that minimize waste generation and improve overall efficiency.

In terms of stability and safety considerations,CAS 916792-03-5 is generally stable under normal storage conditions but should be protected from moisture and light to prevent degradation. Proper handling procedures should be followed to ensure safe use in laboratory settings.

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