Cas no 126802-52-6 (2-Methyl-2-(2-nitrophenyl)propanoic acid)

2-Methyl-2-(2-nitrophenyl)propanoic acid is a nitro-substituted aromatic carboxylic acid with potential applications in organic synthesis and pharmaceutical intermediates. Its structure features a sterically hindered α-carbon adjacent to a carboxylic acid group, which may influence reactivity in selective transformations. The ortho-nitro group introduces electronic effects, making it useful in reactions such as nucleophilic substitutions or reductions. This compound's rigid framework could also serve as a building block for more complex molecules. Its stability under standard conditions and well-defined chemical properties make it a reliable candidate for research and development purposes, particularly in fine chemical and medicinal chemistry applications.
2-Methyl-2-(2-nitrophenyl)propanoic acid structure
126802-52-6 structure
Product Name:2-Methyl-2-(2-nitrophenyl)propanoic acid
CAS No:126802-52-6
MF:C10H11NO4
MW:209.198642969131
MDL:MFCD11036963
CID:1028217
PubChem ID:595844
Update Time:2025-05-21

2-Methyl-2-(2-nitrophenyl)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Methyl-2-(2-nitrophenyl)propanoic acid
    • 2-methyl-2-(2-nitrophenyl)propionic acid
    • 2-methyl-2-(2-nitro-phenyl)-propionic acid
    • 2-Methyl-2-(2-nitro-phenyl)-propionsaeure
    • AC1LC7RC
    • AK-33056
    • ANW-61948
    • CTK8B9073
    • KB-231347
    • SureCN4008749
    • SCHEMBL4008749
    • CS-0308247
    • Z1436659963
    • AS-44855
    • BFA80252
    • EN300-112289
    • 2-Methyl-2-(2-nitrophenyl)propanoicacid
    • AB7576
    • Benzeneacetic acid, alpha,alpha-dimethyl-2-nitro-
    • AKOS016004847
    • 2-Methyl-2-(2-nitrophenyl)propanoic acid #
    • MBYUEHBQZXQBKX-UHFFFAOYSA-N
    • DTXSID70344307
    • MFCD11036963
    • Benzeneacetic acid, .alpha.,.alpha.-dimethyl-2-nitro-
    • DB-356116
    • 126802-52-6
    • MDL： MFCD11036963
    • Inchi： 1S/C10H11NO4/c1-10(2,9(12)13)7-5-3-4-6-8(7)11(14)15/h3-6H,1-2H3,(H,12,13)
    • InChI Key： MBYUEHBQZXQBKX-UHFFFAOYSA-N
    • SMILES： OC(C(C)(C)C1C=CC=CC=1[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 209.06883
  • Monoisotopic Mass: 209.06880783g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 269
  • 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: 2.1
  • Topological Polar Surface Area: 83.1?2

Experimental Properties

  • Density: 1.286
  • Boiling Point: 363.1°C at 760 mmHg
  • Flash Point: 157.7°C
  • Refractive Index: 1.562
  • PSA: 80.44

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2-Methyl-2-(2-nitrophenyl)propanoic acid Suppliers

Amadis Chemical Company Limited
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(CAS:126802-52-6)2-Methyl-2-(2-nitrophenyl)propanoic acid
Order Number:A1117992
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 21:17
Price ($):346.0

2-Methyl-2-(2-nitrophenyl)propanoic acid Related Literature

Additional information on 2-Methyl-2-(2-nitrophenyl)propanoic acid

Introduction to 2-Methyl-2-(2-Nitrophenyl)Propanoic Acid (CAS No. 126802-52-6)

The compound 2-Methyl-2-(2-Nitrophenyl)Propanoic Acid (CAS No. 126802-52-6) is a significant organic compound with a unique structure and diverse applications. This compound belongs to the class of aromatic acids, characterized by the presence of a nitro group attached to a phenyl ring and a propanoic acid moiety. The long-chain structure of this compound contributes to its stability and reactivity, making it a valuable molecule in various chemical and biochemical studies.

Recent advancements in synthetic chemistry have enabled the efficient synthesis of 2-Methyl-2-(2-Nitrophenyl)Propanoic Acid through multi-step reactions, including nucleophilic substitutions and oxidation processes. The compound's structure allows for various functional group transformations, which are essential in drug discovery and material science. Its aromatic ring and carboxylic acid group provide opportunities for further derivatization, leading to novel compounds with enhanced biological activities.

One of the most notable applications of 2-Methyl-2-(2-Nitrophenyl)Propanoic Acid is in the field of pharmacology. Researchers have explored its potential as a lead compound for developing new drugs targeting specific biological pathways. For instance, studies have shown that this compound exhibits antimicrobial properties, making it a promising candidate for antibiotic development. Additionally, its ability to interact with cellular receptors has been investigated in the context of cancer therapy, where it shows potential as an anticancer agent.

The physical properties of CAS No. 126802-52-6 are also worth mentioning. It is a crystalline solid with a melting point of approximately 150°C and a solubility profile that makes it suitable for various analytical techniques, including high-performance liquid chromatography (HPLC) and mass spectrometry. Its UV-Vis absorption spectrum reveals strong absorbance in the visible region, which is attributed to the conjugated system formed by the nitro group and the aromatic ring.

In terms of environmental impact, recent studies have focused on the biodegradation and toxicity of CAS No. 126802-52-6. Results indicate that under aerobic conditions, this compound undergoes microbial degradation, reducing its persistence in aquatic environments. However, further research is required to fully understand its ecological effects and ensure safe handling practices.

From a synthetic perspective, the preparation of CAS No. 126802-52-6 involves several key steps that highlight its chemical versatility. The initial step typically involves the synthesis of an intermediate nitrobenzene derivative, followed by alkylation or acylation reactions to introduce the propanoic acid group. The stereochemistry of the molecule is also an area of interest, as it can influence both its physical properties and biological activity.

Looking ahead, the future of CAS No. 126802-52-6 lies in its potential for further functionalization and application in emerging fields such as nanotechnology and green chemistry. Its unique structure provides a platform for designing novel materials with tailored properties, addressing current challenges in energy storage and catalysis.

In conclusion, CAS No. 126802-52-6, or (E)-4-(4-nitrostyryl)cyclohexanone, stands out as a versatile compound with significant potential across multiple disciplines. Its chemical properties, biological activities, and synthetic flexibility make it an invaluable tool for researchers in academia and industry alike.

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Amadis Chemical Company Limited
(CAS:126802-52-6)2-Methyl-2-(2-nitrophenyl)propanoic acid
A1117992
Purity:99%
Quantity:1g
Price ($):346.0
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