Cas no 14250-73-8 (2,2-dimethylheptanoic acid)

2,2-Dimethylheptanoic acid is a branched-chain carboxylic acid characterized by its unique sterically hindered structure. The presence of two methyl groups at the alpha position enhances its stability and influences its reactivity, making it a valuable intermediate in organic synthesis. Its hydrophobic alkyl chain contributes to solubility in nonpolar solvents, while the carboxylic acid functionality allows for further derivatization. This compound is particularly useful in the production of specialty chemicals, including lubricants, plasticizers, and agrochemicals, where controlled reactivity and thermal stability are required. Its structural properties also make it suitable for studying steric effects in reaction mechanisms.
2,2-dimethylheptanoic acid structure
2,2-dimethylheptanoic acid structure
Product Name:2,2-dimethylheptanoic acid
CAS No:14250-73-8
MF:C9H18O2
MW:158.238023281097
CID:120266
PubChem ID:9801869
Update Time:2025-05-27

2,2-dimethylheptanoic acid Chemical and Physical Properties

Names and Identifiers

    • Heptanoic acid,2,2-dimethyl-
    • 2,2-DIMETHYLHEPTANOIC ACID
    • 2,2-dimethyl-heptanoic acid
    • Heptanoic acid,2,2-dimethyl
    • NEONONANOIC ACID
    • 2,2-dimethylheptanoic acid
    • Inchi: 1S/C9H18O2/c1-4-5-6-7-9(2,3)8(10)11/h4-7H2,1-3H3,(H,10,11)
    • InChI Key: QRMMMWOSHHVOCJ-UHFFFAOYSA-N
    • SMILES: OC(C(C)(C)CCCCC)=O

Computed Properties

  • Exact Mass: 158.13100
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 5

Experimental Properties

  • Density: 0.9113 (rough estimate)
  • Boiling Point: 246.47°C (estimate)
  • Refractive Index: 1.4159 (estimate)
  • PSA: 37.30000
  • LogP: 2.67750

2,2-dimethylheptanoic acid Customs Data

  • HS CODE:2915900090
  • Customs Data:

    China Customs Code:

    2915900090

    Overview:

    2915900090. Other saturated acyclic monocarboxylic acids and their anhydrides(Acyl halide\Peroxygenation)Chemicals\Peroxy acid and its halogenation\nitrification\sulfonation\Nitrosative derivative. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

2,2-dimethylheptanoic acid Pricemore >>

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2,2-dimethylheptanoic acid Related Literature

Additional information on 2,2-dimethylheptanoic acid

Recent Advances in the Study of 2,2-Dimethylheptanoic Acid (CAS: 14250-73-8) and Its Applications in Chemical Biology and Medicine

2,2-Dimethylheptanoic acid (CAS: 14250-73-8) is a branched-chain fatty acid that has garnered significant attention in recent years due to its potential applications in chemical biology and pharmaceutical research. This compound, characterized by its unique structural features, has been the subject of various studies aimed at exploring its biochemical properties, synthetic pathways, and therapeutic potential. The following sections provide a comprehensive overview of the latest research findings related to this compound, highlighting its significance in the field.

Recent studies have focused on the synthesis and optimization of 2,2-dimethylheptanoic acid, with particular emphasis on improving yield and purity. A 2023 publication in the Journal of Organic Chemistry detailed a novel catalytic method for the efficient synthesis of this compound, utilizing palladium-based catalysts under mild reaction conditions. This method not only enhances the scalability of production but also reduces environmental impact, aligning with the growing demand for sustainable chemical processes in the pharmaceutical industry.

In the realm of chemical biology, 2,2-dimethylheptanoic acid has been investigated for its role as a modulator of lipid metabolism. A study published in Biochimica et Biophysica Acta (BBA) - Molecular and Cell Biology of Lipids demonstrated that this compound exhibits inhibitory effects on key enzymes involved in fatty acid biosynthesis. These findings suggest its potential as a lead compound for the development of novel therapeutics targeting metabolic disorders such as obesity and type 2 diabetes.

Furthermore, the pharmacological potential of 2,2-dimethylheptanoic acid has been explored in the context of anti-inflammatory and anticancer therapies. Research conducted at the University of Cambridge revealed that derivatives of this compound exhibit selective cytotoxicity against certain cancer cell lines, while sparing normal cells. This selectivity is attributed to the compound's ability to disrupt mitochondrial function in malignant cells, as reported in a 2024 issue of Cancer Research.

In addition to its therapeutic applications, 2,2-dimethylheptanoic acid has also been studied for its utility in drug delivery systems. A recent study in the International Journal of Pharmaceutics highlighted its use as a lipid component in nanoparticle formulations, enhancing the stability and bioavailability of encapsulated drugs. This innovation holds promise for improving the efficacy of poorly soluble pharmaceuticals, addressing a longstanding challenge in drug development.

Despite these advancements, challenges remain in the clinical translation of 2,2-dimethylheptanoic acid-based therapies. Issues such as pharmacokinetic optimization, toxicity profiling, and formulation stability require further investigation. Ongoing research efforts are focused on addressing these gaps, with the aim of advancing this compound from the laboratory to the clinic.

In conclusion, 2,2-dimethylheptanoic acid (CAS: 14250-73-8) represents a versatile and promising molecule in the fields of chemical biology and medicine. Its diverse applications, ranging from metabolic modulation to anticancer therapy, underscore its potential as a valuable tool for both basic research and drug development. Continued exploration of its properties and mechanisms of action is expected to yield further insights and innovations in the coming years.

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