Cas no 69959-91-7 (N1-(1-Isopropyl-2-methylpropyl)-2-bromo-2-methylpropanamide)

N1-(1-Isopropyl-2-methylpropyl)-2-bromo-2-methylpropanamide is a specialized brominated amide compound featuring a branched alkyl substituent, which enhances its steric and electronic properties. The presence of the bromomethyl group makes it a versatile intermediate in organic synthesis, particularly for nucleophilic substitution reactions or as a precursor in pharmaceutical and agrochemical applications. Its unique structure offers controlled reactivity, facilitating selective modifications in complex molecular frameworks. The compound's stability under standard conditions ensures reliable handling and storage. Its synthetic utility is further underscored by its potential use in constructing structurally diverse amides and heterocycles, making it valuable for research and industrial applications requiring tailored brominated building blocks.
N1-(1-Isopropyl-2-methylpropyl)-2-bromo-2-methylpropanamide structure
69959-91-7 structure
Product Name:N1-(1-Isopropyl-2-methylpropyl)-2-bromo-2-methylpropanamide
CAS No:69959-91-7
MF:C11H22BrNO
MW:264.202482700348
MDL:MFCD00829207
CID:841386
PubChem ID:2735560
Update Time:2025-06-09

N1-(1-Isopropyl-2-methylpropyl)-2-bromo-2-methylpropanamide Chemical and Physical Properties

Names and Identifiers

    • N1-(1-Isopropyl-2-methylpropyl)-2-bromo-2-methylpropanamide
    • 2-BROMO-N-(2,4-DIMETHYLPENT-3-YL)-2-METHYLPROPIONAMIDE
    • 2-bromo-N-(2,4-dimethylpentan-3-yl)-2-methylpropanamide
    • DTXSID60370796
    • MFCD00829207
    • FT-0629639
    • A836714
    • 2-bromanyl-N-(2,4-dimethylpentan-3-yl)-2-methyl-propanamide
    • J-523362
    • 69959-91-7
    • DB-055364
    • MDL: MFCD00829207
    • Inchi: 1S/C11H22BrNO/c1-7(2)9(8(3)4)13-10(14)11(5,6)12/h7-9H,1-6H3,(H,13,14)
    • InChI Key: IFMILRMHIGXRBV-UHFFFAOYSA-N
    • SMILES: BrC(C)(C)C(NC(C(C)C)C(C)C)=O

Computed Properties

  • Exact Mass: 263.08800
  • Monoisotopic Mass: 263.08848g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 192
  • 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: 3.6
  • Topological Polar Surface Area: 29.1?2

Experimental Properties

  • Melting Point: 80-82
  • PSA: 29.10000
  • LogP: 3.34760

N1-(1-Isopropyl-2-methylpropyl)-2-bromo-2-methylpropanamide Security Information

  • Hazard Statement: Irritant
  • Safety Instruction: S26-S37/39
  • Hazardous Material Identification: Xi
  • Safety Term:S26;S37/39
  • Risk Phrases:R36/37/38

N1-(1-Isopropyl-2-methylpropyl)-2-bromo-2-methylpropanamide Pricemore >>

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Additional information on N1-(1-Isopropyl-2-methylpropyl)-2-bromo-2-methylpropanamide

Professional Introduction to N1-(1-Isopropyl-2-methylpropyl)-2-bromo-2-methylpropanamide (CAS No. 69959-91-7)

N1-(1-Isopropyl-2-methylpropyl)-2-bromo-2-methylpropanamide, a compound with the chemical identifier CAS No. 69959-91-7, represents a significant area of interest in the field of pharmaceutical chemistry and bioorganic synthesis. This compound, characterized by its unique structural framework, has garnered attention due to its potential applications in the development of novel therapeutic agents and as a key intermediate in synthetic pathways.

The molecular structure of N1-(1-Isopropyl-2-methylpropyl)-2-bromo-2-methylpropanamide consists of a brominated amide moiety attached to a branched alkyl chain. The presence of both bromine and isopropyl substituents makes this compound particularly valuable for further functionalization, enabling chemists to explore diverse chemical modifications and derivatizations. Such structural features are often exploited in medicinal chemistry to enhance binding affinity, metabolic stability, and overall pharmacological efficacy.

In recent years, there has been a growing interest in leveraging halogenated compounds like N1-(1-Isopropyl-2-methylpropyl)-2-bromo-2-methylpropanamide in the design of small molecule drugs. The bromine atom, in particular, serves as a versatile handle for cross-coupling reactions such as Suzuki-Miyaura and Buchwald-Hartwig couplings, which are pivotal in constructing complex molecular architectures. These reactions are widely employed in the synthesis of biaryl compounds and heterocycles, which are prevalent motifs in many approved drugs.

One of the most compelling aspects of N1-(1-Isopropyl-2-methylpropyl)-2-bromo-2-methylpropanamide is its utility as a building block for the synthesis of more intricate pharmacophores. Researchers have demonstrated its use in creating novel amides and esters, which can then be further modified to target specific biological pathways. For instance, derivatives of this compound have shown promise in inhibiting enzymes involved in inflammatory responses and cancer progression. The ability to fine-tune the properties of these derivatives by altering substituents on the alkyl chain allows for the optimization of drug-like characteristics such as solubility, bioavailability, and target specificity.

The bromine atom also facilitates the introduction of other functional groups through nucleophilic substitution reactions. This reactivity has been exploited to develop strategies for late-stage functionalization, where existing drug candidates can be modified post-synthetically to improve their therapeutic profile. Such flexibility is particularly valuable in drug discovery pipelines where rapid iteration and diversification of molecular libraries are essential.

Recent advancements in synthetic methodologies have further enhanced the appeal of N1-(1-Isopropyl-2-methylpropyl)-2-bromo-2-methylpropanamide. For example, transition-metal-catalyzed reactions have enabled more efficient and selective transformations, reducing the need for harsh conditions and minimizing byproduct formation. These improvements have not only accelerated the synthesis of this compound but also opened up new avenues for its application in drug development.

The pharmaceutical industry continues to invest heavily in exploring novel chemical entities like N1-(1-Isopropyl-2-methylpropyl)-2-bromo-2-methylpropanamide due to the unmet medical needs that remain despite significant progress in drug discovery over the past few decades. The ability to generate structurally diverse compounds with tailored properties is crucial for addressing complex diseases such as cancer, neurodegenerative disorders, and infectious diseases. As such, this compound represents an important asset in the chemist's toolbox.

In conclusion, N1-(1-Isopropyl-2-methylpropyl)-2-bromo-2-methylpropanamide (CAS No. 69959-91-7) is a multifaceted compound with significant potential in pharmaceutical research and development. Its unique structural features and reactivity make it an invaluable intermediate for synthesizing novel therapeutic agents. As synthetic chemistry continues to evolve, it is likely that this compound will play an even greater role in the discovery and development of next-generation drugs.

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