Cas no 50415-69-5 (Methyl 2-(4-Nitrophenyl)propanoate)

Methyl 2-(4-Nitrophenyl)propanoate is a synthetic ester compound featuring a nitrophenyl functional group, making it a valuable intermediate in organic synthesis and pharmaceutical applications. Its structure combines ester reactivity with the electron-withdrawing properties of the nitro group, facilitating further chemical modifications such as reductions or nucleophilic substitutions. The compound exhibits good stability under standard conditions, ensuring reliable handling and storage. Its well-defined molecular framework makes it suitable for use in chiral synthesis and as a precursor for bioactive molecules. The presence of the methyl ester group enhances solubility in common organic solvents, streamlining its incorporation into reaction schemes. This compound is particularly useful in research settings requiring precise functional group manipulation.
Methyl 2-(4-Nitrophenyl)propanoate structure
50415-69-5 structure
Product Name:Methyl 2-(4-Nitrophenyl)propanoate
CAS No:50415-69-5
MF:C10H11NO4
MW:209.198642969131
MDL:MFCD03305811
CID:384538
PubChem ID:3016521
Update Time:2025-11-01

Methyl 2-(4-Nitrophenyl)propanoate Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetic acid, a-methyl-4-nitro-, methyl ester
    • METHYL 2-(4-NITROPHENYL)PROPANOATE
    • methyl 2-(4-nitrophenyl)propionate
    • (+-)-2-(4-nitro-phenyl)-propionic acid methyl ester
    • (+-)-2-(4-Nitro-phenyl)-propionsaeure-methylester
    • EINECS 256-584-4
    • methyl (4-nitrophenyl)propanoate
    • methyl 2-(4-nitrobenzene)propionate
    • methylnitrophenylpropanoate
    • Benzeneacetic acid,a-methyl-4-nitro-,methyl ester
    • 8T-0081
    • CS-0112692
    • J-521851
    • DTXSID20964675
    • AKOS005071408
    • SCHEMBL427393
    • methyl2-(4-nitrophenyl)propionate
    • FT-0680677
    • NWHFCRJVWNLNHP-UHFFFAOYSA-N
    • NS00057542
    • 50415-69-5
    • MFCD03305811
    • DA-05408
    • Methyl 2-(4-Nitrophenyl)propanoate
    • MDL: MFCD03305811
    • Inchi: 1S/C10H11NO4/c1-7(10(12)15-2)8-3-5-9(6-4-8)11(13)14/h3-7H,1-2H3
    • InChI Key: NWHFCRJVWNLNHP-UHFFFAOYSA-N
    • SMILES: O(C)C(C(C)C1C=CC(=CC=1)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 209.06900
  • Monoisotopic Mass: 209.06880783g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 240
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.1
  • Topological Polar Surface Area: 72.1?2

Experimental Properties

  • PSA: 72.12000
  • LogP: 2.39450

Methyl 2-(4-Nitrophenyl)propanoate Security Information

  • HazardClass:IRRITANT

Methyl 2-(4-Nitrophenyl)propanoate Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. 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, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Methyl 2-(4-Nitrophenyl)propanoate Pricemore >>

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Additional information on Methyl 2-(4-Nitrophenyl)propanoate

Methyl 2-(4-Nitrophenyl)propanoate (CAS No: 50415-69-5)

Methyl 2-(4-Nitrophenyl)propanoate is a versatile organic compound with the CAS registry number 50415-69-5. This compound, also referred to as methyl 2-(4-nitrophenyl)propanoate, belongs to the class of esters and is widely recognized for its applications in various fields of chemistry, including organic synthesis, pharmacology, and materials science. The compound's structure consists of a propanoate group substituted with a methyl ester and a nitrophenyl group, making it a valuable intermediate in the synthesis of more complex molecules.

Recent advancements in synthetic chemistry have highlighted the significance of methyl 2-(4-nitrophenyl)propanoate as a key intermediate in the preparation of biologically active compounds. Researchers have demonstrated its utility in the construction of heterocyclic frameworks, which are essential components of many pharmaceutical agents. For instance, studies have shown that this compound can be employed in the synthesis of quinazoline derivatives, which exhibit potent anti-cancer properties. These findings underscore the importance of methyl 2-(4-nitrophenyl)propanoate in drug discovery and development.

In addition to its role in pharmaceutical research, methyl 2-(4-nitrophenyl)propanoate has found applications in materials science. Its ability to undergo various chemical transformations makes it an ideal candidate for the synthesis of advanced materials, such as polymeric systems and nanoparticles. Recent investigations have explored its use as a precursor for the preparation of stimuli-responsive polymers, which have potential applications in drug delivery systems and smart materials.

The physical and chemical properties of methyl 2-(4-nitrophenyl)propanoate are well-documented. It exists as a crystalline solid with a melting point of approximately 78–80°C and a boiling point around 310°C at 760 mmHg. The compound is sparingly soluble in water but exhibits good solubility in organic solvents such as dichloromethane, ethyl acetate, and THF. Its molecular weight is 237.18 g/mol, and its molecular formula is C11H11NO5.

From an analytical standpoint, methyl 2-(4-nitrophenyl)propanoate can be readily characterized using techniques such as nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry (MS), and infrared (IR) spectroscopy. These methods provide valuable insights into its structural integrity and purity, ensuring its suitability for various applications.

Recent studies have also focused on the environmental impact and degradation pathways of methyl 2-(4-nitrophenyl)propanoate. Research indicates that under aerobic conditions, the compound undergoes microbial degradation, releasing carbon dioxide and other innocuous byproducts. This information is crucial for assessing its environmental fate and ensuring sustainable practices in its production and use.

In conclusion, methyl 2-(4-nitrophenyl)propanoate (CAS No: 50415-69-5) is a multifaceted compound with significant potential in diverse areas of scientific research. Its role as an intermediate in organic synthesis, coupled with its promising applications in pharmacology and materials science, positions it as an essential component in modern chemical research.

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