Cas no 77359-11-6 (3-(4-Nitrobenzyl)oxy-3-oxopropanoic Acid)

3-(4-Nitrobenzyl)oxy-3-oxopropanoic Acid is a nitrobenzyl-protected derivative of malonic acid, commonly employed as an intermediate in organic synthesis and pharmaceutical research. The 4-nitrobenzyl group enhances stability and facilitates selective deprotection under mild conditions, making it valuable for controlled release applications. Its carboxylic acid functionality allows for further derivatization, enabling the synthesis of esters, amides, and other functionalized compounds. The nitro group also provides reactivity for subsequent reduction or substitution reactions. This compound is particularly useful in peptide synthesis and prodrug design, where protecting group strategies are critical. Its well-defined reactivity and compatibility with standard synthetic protocols make it a reliable choice for researchers requiring precise molecular modifications.
3-(4-Nitrobenzyl)oxy-3-oxopropanoic Acid structure
77359-11-6 structure
Product Name:3-(4-Nitrobenzyl)oxy-3-oxopropanoic Acid
CAS No:77359-11-6
MF:C10H9NO6
MW:239.181563138962
MDL:MFCD00191556
CID:59890
PubChem ID:87573138
Update Time:2025-06-14

3-(4-Nitrobenzyl)oxy-3-oxopropanoic Acid Chemical and Physical Properties

Names and Identifiers

    • 3-((4-Nitrobenzyl)oxy)-3-oxopropanoic acid
    • MALONIC ACID MONO-4-NITROBENZYL ESTER
    • MONO-4-NITROBENZYL MALONATE
    • MONO P-NITRO BENZYL MALONATE
    • 4-nitrobenzyl hydrogen malonate
    • 4-NITROBENZYLMALONATE
    • MONO-4-NITROBENZYLMALONICACIDESTER
    • 3-[(4-Nitrobenzyl)oxy]-3-oxopropanoic acid
    • 1H-ISOINDOLE-1,3(2H)-DIONE, 2-[[(5S)-2-OXO-3-[4-(3-OXO-4-MORPHOLINYL)PHENYL]-5-OXAZOLIDINYL]METHYL]-
    • 3-[(4-nitrophenyl)methoxy]-3-oxopropanoic acid
    • Propanedioic acid, 1-[(4-nitrophenyl)methyl] ester
    • 2-{[(4-nitrophenyl)methyl]oxycarbonyl}acetic Acid
    • 3-(4-nitrobenzyloxy)-3-oxopropanoic acid
    • RIGFMUNSTCPGNP-UHFFFAOYSA-
    • RIGFMUNSTCPGNP-UHFFFAOYSA-N
    • B
    • MFCD00191556
    • EXU753HR7Z
    • AC-7770
    • Propanedioic acid, mono[(4-nitrophenyl)methyl] ester
    • FT-0641645
    • mono-p-nitrobenzyl malonate
    • CS-W010295
    • M1177
    • 1-[(4-Nitrophenyl)methyl] propanedioate
    • p-nitrobenzyl malonate
    • InChI=1/C10H9NO6/c12-9(13)5-10(14)17-6-7-1-3-8(4-2-7)11(15)16/h1-4H,5-6H2,(H,12,13)
    • SCHEMBL1554845
    • SY014941
    • 3-[(4-Nitrobenzyl)oxy]-3-oxopropanoic acid #
    • J-510742
    • AKOS015890040
    • BCP12998
    • DTXSID80343841
    • A839066
    • 77359-11-6
    • DS-1204
    • Malonicacidmononitrobenzylester
    • 3-(4-Nitrobenzyl)oxy-3-oxopropanoic Acid
    • MDL: MFCD00191556
    • Inchi: 1S/C10H9NO6/c12-9(13)5-10(14)17-6-7-1-3-8(4-2-7)11(15)16/h1-4H,5-6H2,(H,12,13)
    • InChI Key: RIGFMUNSTCPGNP-UHFFFAOYSA-N
    • SMILES: O(C(CC(=O)O)=O)CC1C=CC(=CC=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 239.04300
  • Monoisotopic Mass: 239.04298701g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 302
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.4
  • Topological Polar Surface Area: 109

Experimental Properties

  • Color/Form: White or light yellow lens powder.
  • Density: 1.4470
  • Melting Point: 108.0 to 111.0 deg-C
  • Boiling Point: 455.8℃ at 760 mmHg
  • Flash Point: 229.5±24.6 °C
  • Refractive Index: 1.579
  • PSA: 109.42000
  • LogP: 1.63590
  • Solubility: Not determined
  • Vapor Pressure: 0.0±1.2 mmHg at 25°C

3-(4-Nitrobenzyl)oxy-3-oxopropanoic Acid Security Information

3-(4-Nitrobenzyl)oxy-3-oxopropanoic Acid Customs Data

  • HS CODE:2918990090
  • Customs Data:

    China Customs Code:

    2918990090

    Overview:

    2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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3-(4-Nitrobenzyl)oxy-3-oxopropanoic Acid Suppliers

Suzhou Senfeida Chemical Co., Ltd
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(CAS:77359-11-6)4-Nitrobenzyl hydrogen malonate
Order Number:sfd4015
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:33
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Amadis Chemical Company Limited
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(CAS:77359-11-6)3-(4-Nitrobenzyl)oxy-3-oxopropanoic Acid
Order Number:A839066
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Quantity:500g/1kg
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 06:45
Price ($):241.0/427.0
Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:77359-11-6)丙二酸單對硝基芐酯
Order Number:LE5873196
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:46
Price ($):discuss personally

Additional information on 3-(4-Nitrobenzyl)oxy-3-oxopropanoic Acid

Recent Advances in the Study of 3-(4-Nitrobenzyl)oxy-3-oxopropanoic Acid (CAS: 77359-11-6)

3-(4-Nitrobenzyl)oxy-3-oxopropanoic Acid (CAS: 77359-11-6) is a chemical compound of significant interest in the field of chemical biology and pharmaceutical research. This compound, characterized by its nitrobenzyl and oxopropanoic acid functional groups, has been the subject of recent studies due to its potential applications in drug development and biochemical synthesis. The following research brief provides an overview of the latest findings related to this compound, highlighting its synthesis, biological activity, and potential therapeutic applications.

Recent studies have focused on the synthesis and optimization of 3-(4-Nitrobenzyl)oxy-3-oxopropanoic Acid, with particular attention to its role as an intermediate in the production of more complex pharmaceutical agents. Researchers have developed novel synthetic pathways to improve yield and purity, leveraging advanced techniques such as high-performance liquid chromatography (HPLC) and nuclear magnetic resonance (NMR) spectroscopy for characterization. These advancements have facilitated a deeper understanding of the compound's chemical properties and reactivity.

In addition to its synthetic utility, 3-(4-Nitrobenzyl)oxy-3-oxopropanoic Acid has been investigated for its biological activity. Preliminary in vitro studies suggest that this compound exhibits moderate inhibitory effects on certain enzymes involved in inflammatory pathways. This finding has sparked interest in its potential as a lead compound for the development of anti-inflammatory drugs. Further research is underway to elucidate the mechanism of action and to evaluate its efficacy in animal models.

The compound's unique structure also makes it a valuable tool in chemical biology. Researchers have utilized 3-(4-Nitrobenzyl)oxy-3-oxopropanoic Acid as a building block for the synthesis of fluorescent probes and other diagnostic agents. These probes have been employed in imaging studies to track cellular processes and to investigate the dynamics of biomolecular interactions. The versatility of this compound underscores its importance in both basic and applied research.

Despite these promising developments, challenges remain in the widespread application of 3-(4-Nitrobenzyl)oxy-3-oxopropanoic Acid. Issues such as stability under physiological conditions and potential toxicity need to be addressed through further research. Collaborative efforts between chemists, biologists, and pharmacologists will be essential to overcome these hurdles and to unlock the full potential of this compound.

In conclusion, 3-(4-Nitrobenzyl)oxy-3-oxopropanoic Acid (CAS: 77359-11-6) represents a promising area of research in the chemical biology and pharmaceutical fields. Its dual role as a synthetic intermediate and a biologically active molecule highlights its versatility and potential for future applications. Continued investigation into its properties and mechanisms will likely yield valuable insights and contribute to the development of novel therapeutic agents.

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