Cas no 115279-57-7 (2-(4-Aminophenyl)-2-methylpropanenitrile)

2-(4-Aminophenyl)-2-methylpropanenitrile is a versatile organic compound featuring an aromatic amine group and a nitrile functionality, making it a valuable intermediate in pharmaceutical and fine chemical synthesis. Its structural properties, including the sterically hindered 2-methylpropanenitrile moiety, enhance stability and reactivity in selective transformations. The para-aminophenyl group allows for further functionalization, such as diazotization or coupling reactions, facilitating the synthesis of complex molecules. This compound is particularly useful in the development of active pharmaceutical ingredients (APIs) and agrochemicals, where precise molecular architecture is critical. High purity grades ensure consistent performance in research and industrial applications.
2-(4-Aminophenyl)-2-methylpropanenitrile structure
115279-57-7 structure
Product Name:2-(4-Aminophenyl)-2-methylpropanenitrile
CAS No:115279-57-7
MF:C10H12N2
MW:160.215682029724
MDL:MFCD09909912
CID:821303
PubChem ID:10057801
Update Time:2025-05-25

2-(4-Aminophenyl)-2-methylpropanenitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(4-Aminophenyl)-2-methylpropanenitrile
    • 2-(4-Aminophenyl)-2-methylpropionitrile
    • Benzeneacetonitrile, 4-aMino-a,a-diMethyl-
    • 1,1-dimethyl-1-(4-aminophenyl)-acetonitrile
    • 2-(4-aminophenyl)-2-methyl-propanenitrile
    • PubChem19386
    • AMBZ0308
    • VXDPOGVDHHJTDY-UHFFFAOYSA-N
    • 4-(1-cyano-1-methylethyl)-aniline
    • SBB068746
    • 4-(cyano-dimethyl-methyl)-phenylamine
    • TRA0052055
    • PB13096
    • SY008847
    • 2-(4-ami
    • EN300-31571
    • BENZENEACETONITRILE, 4-AMINO-ALPHA,ALPHA-DIMETHYL-
    • CS-D0635
    • DB-003207
    • 2-(4-Aminophenyl)-2-Methylpropanonitrile
    • MFCD09909912
    • AKOS005217112
    • 2-(4-aminophenyl)-2-methyl propanenitrile
    • SCHEMBL358617
    • TS-02131
    • 2-(4-aminophenyl)-2-methyl propionitrile
    • J-003274
    • 2-(4-Amino-phenyl)-2-methyl-propionitrile
    • DTXSID10434817
    • 115279-57-7
    • BCP32323
    • MDL: MFCD09909912
    • Inchi: 1S/C10H12N2/c1-10(2,7-11)8-3-5-9(12)6-4-8/h3-6H,12H2,1-2H3
    • InChI Key: VXDPOGVDHHJTDY-UHFFFAOYSA-N
    • SMILES: NC1C=CC(=CC=1)C(C#N)(C)C

Computed Properties

  • Exact Mass: 160.10000
  • Monoisotopic Mass: 160.100048391g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 191
  • 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
  • Topological Polar Surface Area: 49.8
  • XLogP3: 1.8

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.2±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: No data available
  • Flash Point: 142.026℃
  • Refractive Index: 1.556
  • PSA: 49.81000
  • LogP: 2.65118
  • Vapor Pressure: No data available

2-(4-Aminophenyl)-2-methylpropanenitrile Security Information

2-(4-Aminophenyl)-2-methylpropanenitrile Customs Data

  • HS CODE:2926909090
  • Customs Data:

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

2-(4-Aminophenyl)-2-methylpropanenitrile Pricemore >>

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2-(4-Aminophenyl)-2-methylpropanenitrile Production Method

2-(4-Aminophenyl)-2-methylpropanenitrile Related Literature

Additional information on 2-(4-Aminophenyl)-2-methylpropanenitrile

2-(4-Aminophenyl)-2-methylpropanenitrile: A Comprehensive Overview

2-(4-Aminophenyl)-2-methylpropanenitrile is a versatile organic compound with the CAS number 115279-57-7. This compound has garnered significant attention in the fields of organic synthesis, pharmaceuticals, and materials science due to its unique structural properties and functional groups. The molecule consists of a nitrile group attached to a branched alkyl chain, which is further connected to a 4-aminophenyl ring. This combination of functional groups makes it an ideal building block for various chemical transformations and applications.

The 4-aminophenyl group in the molecule introduces aromaticity and potential sites for substitution reactions, while the nitrile group provides opportunities for nucleophilic addition and other reactions. Recent studies have highlighted the use of 2-(4-Aminophenyl)-2-methylpropanenitrile in the synthesis of bioactive compounds, particularly in the development of new drug candidates. For instance, researchers have explored its role in creating heterocyclic structures that exhibit promising anti-inflammatory and anticancer properties.

In terms of synthesis, 2-(4-Aminophenyl)-2-methylpropanenitrile can be prepared through various methods, including nucleophilic substitution and condensation reactions. One notable approach involves the reaction of 4-aminophenylacetonitrile with a suitable alkylating agent under basic conditions. This method has been optimized in recent studies to enhance yield and purity, making it more accessible for large-scale production.

The compound's applications extend beyond pharmaceuticals. It has been utilized in the development of advanced materials, such as polymeric films and coatings, where its nitrile group contributes to improved mechanical properties and thermal stability. Additionally, 2-(4-Aminophenyl)-2-methylpropanenitrile has shown potential in catalytic processes, serving as a ligand or precursor in transition metal-catalyzed reactions.

Recent advancements in green chemistry have also influenced the use of 115279-57-7. Researchers are exploring environmentally friendly synthesis routes that minimize waste and energy consumption. For example, microwave-assisted synthesis has been employed to accelerate reaction times while maintaining high yields.

In conclusion, 2-(4-Aminophenyl)-2-methylpropanenitrile (CAS No. 115279-57-7) is a multifaceted compound with a wide range of applications across various industries. Its unique structure and reactivity make it a valuable tool in modern organic chemistry, driving innovation in drug discovery, materials science, and sustainable chemical processes.

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