Cas no 40204-26-0 (Monobenzyl Malonate)

Monobenzyl Malonate is a versatile ester derivative of malonic acid, widely utilized in organic synthesis and pharmaceutical intermediates. Its key advantages include its role as a bifunctional building block, enabling efficient C-C bond formation through malonate chemistry. The benzyl ester group offers selective deprotection under mild conditions, facilitating controlled reactivity in multi-step syntheses. This compound is particularly valuable in the preparation of fine chemicals, agrochemicals, and active pharmaceutical ingredients (APIs). Its stability under standard storage conditions and compatibility with a range of reagents further enhance its utility in synthetic applications. Monobenzyl Malonate is favored for its balance of reactivity and handling safety in laboratory and industrial settings.
Monobenzyl Malonate structure
Monobenzyl Malonate structure
Product Name:Monobenzyl Malonate
CAS No:40204-26-0
MF:C10H10O4
MW:194.184003353119
MDL:MFCD00138132
CID:334581
PubChem ID:24869724
Update Time:2025-06-22

Monobenzyl Malonate Chemical and Physical Properties

Names and Identifiers

    • mono-Benzyl malonate
    • Malonic Acid Monobenzyl Ester
    • Monobenzyl Malonate
    • 2-benzyloxycarbonylacetic acid
    • benzyl hydrogen malonate
    • benzyloxycarbonyl-2-iodoethylamine
    • benzyloxycarbonyl-acetic acid
    • ICH2CH2NHCO2Bn
    • N-benzyloxycarbonyl-2-iodo-ethylamine
    • N-carbobenzoxy-2-iodoethylamine
    • N-Cbz-iodoethylamine
    • 3-(benzyloxy)-3-oxopropanoic acid
    • MONOBENZYLMALONATE
    • benzyl hemimalonate
    • 2-((Benzyloxy)carbonyl)acetic acid
    • BENZYL MALONATE
    • 3-oxo-3-phenylmethoxypropanoic acid
    • Mono-benzyl malonat
    • 3-(Benzyl-Oxy)-3-Oxopropanoic Acid
    • Propanedioic acid, 1-(phenylmethyl) ester
    • Malonic acid 1-benzyl ester
    • SC
    • DTXSID30960628
    • CFLAHQSWDKNWPW-UHFFFAOYSA-N
    • AKOS015889348
    • KK5W8RT3GG
    • CHEBI:84093
    • 40204-26-0
    • Q27157471
    • SY259398
    • CS-0091017
    • 3-OXIDANYLIDENE-3-PHENYLMETHOXY-PROPANOIC ACID
    • AS-40146
    • mono-Benzyl malonate, 95%
    • MFCD00138132
    • UNII-KK5W8RT3GG
    • W-200351
    • FT-0639622
    • J-505253
    • 3-Benzyloxy-3-oxo-propanoic acid
    • GEO-01982
    • SCHEMBL338280
    • MDL: MFCD00138132
    • Inchi: 1S/C10H10O4/c11-9(12)6-10(13)14-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)
    • InChI Key: CFLAHQSWDKNWPW-UHFFFAOYSA-N
    • SMILES: O(C(CC(=O)O)=O)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 194.05800
  • Monoisotopic Mass: 194.05790880g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 206
  • 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
  • Topological Polar Surface Area: 63.6
  • XLogP3: 1.7

Experimental Properties

  • Melting Point: 47-51?°C (lit.)
  • PSA: 63.60000
  • LogP: 1.20450

Monobenzyl Malonate Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3

Monobenzyl Malonate 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%

Monobenzyl Malonate Pricemore >>

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Additional information on Monobenzyl Malonate

Introduction to Monobenzyl Malonate (CAS No. 40204-26-0)

Monobenzyl Malonate, chemically designated as benzyl malonate, is an important intermediate in organic synthesis and pharmaceutical research. With a chemical formula of C10H12O4, this compound is widely recognized for its utility in the synthesis of various pharmacologically active molecules. TheCAS registry number, 40204-26-0, uniquely identifies this substance in scientific literature and industrial applications.

The compound is primarily utilized as a building block in the synthesis of more complex molecules, particularly in the pharmaceutical industry. Its structural properties make it a valuable precursor for the preparation of heterocyclic compounds, which are integral to many modern drugs. The benzyl group in Monobenzyl Malonate contributes to its reactivity, enabling various chemical transformations that are essential for drug development.

In recent years, significant advancements have been made in the application of Monobenzyl Malonate in medicinal chemistry. Researchers have leveraged its versatility to develop novel therapeutic agents targeting various diseases. For instance, studies have highlighted its role in the synthesis of inhibitors for enzymes involved in cancer pathways. The malonate moiety, known for its ability to chelate metal ions, has been exploited to create metal-based drugs that exhibit potent anticancer activity.

Moreover, Monobenzyl Malonate has found utility in the development of antimicrobial agents. The benzyl group's electron-donating properties enhance the compound's interaction with biological targets, making it an effective scaffold for designing new antibiotics. Recent research has demonstrated its incorporation into peptidomimetics, which are designed to mimic natural peptides while avoiding their drawbacks such as rapid degradation and immunogenicity.

The compound's significance extends beyond pharmaceuticals into materials science and agrochemicals. In materials science, Monobenzyl Malonate is used as a monomer in polymer synthesis, contributing to the development of advanced materials with tailored properties. Its reactivity allows for the creation of polymers with specific thermal and mechanical characteristics, which are crucial for applications ranging from electronics to biomedical devices.

In agrochemicals, the compound serves as a precursor for synthesizing herbicides and pesticides. The structural features of Monobenzyl Malonate enable the design of molecules that interact selectively with biological targets in plants and pests, thereby improving crop protection strategies. This application underscores the compound's broad utility across multiple industries.

Recent studies have also explored the potential of Monobenzyl Malonate in green chemistry initiatives. Researchers are investigating methods to synthesize this compound using environmentally friendly processes, reducing the ecological footprint of its production. Such efforts align with global trends toward sustainable chemical manufacturing practices.

The pharmaceutical industry continues to be a major driver of innovation using Monobenzyl Malonate. Its role in synthesizing active pharmaceutical ingredients (APIs) has been well-documented, with several drugs currently in clinical trials incorporating derivatives of this compound. The ability to modify its structure allows researchers to fine-tune its pharmacological properties, leading to more effective and safer medications.

Additionally, Monobenzyl Malonate has been studied for its potential applications in regenerative medicine. Researchers are exploring its use in developing biodegradable scaffolds for tissue engineering. The compound's ability to form stable polymers with controlled degradation rates makes it an attractive candidate for creating materials that support cell growth and tissue repair.

The future prospects of Monobenzyl Malonate are promising, with ongoing research uncovering new applications and refining existing ones. As synthetic methodologies advance, the accessibility and efficiency of producing this compound will likely improve, further enhancing its utility across various scientific disciplines.

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