Cas no 56598-98-2 (Diethyl 2-(methylamino)malonate hydrochloride)

Diethyl 2-(methylamino)malonate hydrochloride is a versatile chemical intermediate primarily used in organic synthesis and pharmaceutical research. Its key advantages include high reactivity as a malonate derivative, enabling efficient incorporation into complex molecular frameworks. The hydrochloride salt form enhances stability and solubility, facilitating handling and storage. This compound is particularly valuable in the synthesis of heterocycles, amino acid derivatives, and active pharmaceutical ingredients (APIs). Its methylamino group provides a reactive site for further functionalization, making it a useful building block in medicinal chemistry. The product is typically characterized by high purity, ensuring consistent performance in synthetic applications.
Diethyl 2-(methylamino)malonate hydrochloride structure
56598-98-2 structure
Product Name:Diethyl 2-(methylamino)malonate hydrochloride
CAS No:56598-98-2
MF:C8H16ClNO4
MW:225.669941902161
MDL:MFCD28954256
CID:379779
PubChem ID:12202154
Update Time:2025-10-31

Diethyl 2-(methylamino)malonate hydrochloride Chemical and Physical Properties

Names and Identifiers

    • Propanedioic acid,2-(methylamino)-, 1,3-diethyl ester, hydrochloride (1:1)
    • Diethyl 2-(methylamino)malonate hydrochloride
    • diethyl 2-(methylamino)propanedioate,hydrochloride
    • 1,3-diethyl 2-(methylamino)propanedioate hydrochloride
    • AGN-PC-0NI2FV
    • NSC207867
    • AK188536
    • Z2182115430
    • MDL: MFCD28954256
    • Inchi: 1S/C8H15NO4.ClH/c1-4-12-7(10)6(9-3)8(11)13-5-2;/h6,9H,4-5H2,1-3H3;1H
    • InChI Key: UEDQOJWGNGPGCS-UHFFFAOYSA-N
    • SMILES: Cl.O(CC)C(C(C(=O)OCC)NC)=O

Computed Properties

  • Exact Mass: 189.10015
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 7
  • Complexity: 163
  • Topological Polar Surface Area: 64.599

Experimental Properties

  • PSA: 64.63

Diethyl 2-(methylamino)malonate hydrochloride Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
D680273-10mg
Diethyl 2-(methylamino)malonate Hydrochloride
56598-98-2
10mg
$ 50.00 2022-06-05
TRC
D680273-50mg
Diethyl 2-(methylamino)malonate Hydrochloride
56598-98-2
50mg
$ 160.00 2022-06-05
TRC
D680273-100mg
Diethyl 2-(methylamino)malonate Hydrochloride
56598-98-2
100mg
$ 250.00 2022-06-05
Chemenu
CM253691-1g
Diethyl 2-(methylamino)malonate hydrochloride
56598-98-2 97%
1g
$246 2021-06-09
Chemenu
CM253691-5g
Diethyl 2-(methylamino)malonate hydrochloride
56598-98-2 97%
5g
$687 2021-06-09
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-RI432-1g
Diethyl 2-(methylamino)malonate hydrochloride
56598-98-2 97%
1g
484.0CNY 2021-07-12
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-RI432-100mg
Diethyl 2-(methylamino)malonate hydrochloride
56598-98-2 97%
100mg
123CNY 2021-05-08
SHANG HAI XIAN DING Biotechnology Co., Ltd.
B-RI432-250mg
Diethyl 2-(methylamino)malonate hydrochloride
56598-98-2 97%
250mg
261CNY 2021-05-08
Chemenu
CM253691-1g
Diethyl 2-(methylamino)malonate hydrochloride
56598-98-2 97%
1g
$74 2023-02-02
Chemenu
CM253691-5g
Diethyl 2-(methylamino)malonate hydrochloride
56598-98-2 97%
5g
$207 2023-02-02

Diethyl 2-(methylamino)malonate hydrochloride Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:56598-98-2)Diethyl 2-(methylamino)malonate hydrochloride
Order Number:A869895
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 09:20
Price ($):210.0

Additional information on Diethyl 2-(methylamino)malonate hydrochloride

Diethyl 2-(methylamino)malonate hydrochloride (CAS No. 56598-98-2): A Comprehensive Overview

Diethyl 2-(methylamino)malonate hydrochloride, with the chemical formula C7H13NO4HCl, is a significant compound in the field of organic synthesis and pharmaceutical research. This compound, identified by its CAS number 56598-98-2, has garnered considerable attention due to its versatile applications in the development of fine chemicals and active pharmaceutical ingredients (APIs). The hydrochloride salt form enhances its solubility and stability, making it a preferred choice for various synthetic protocols.

The structure of Diethyl 2-(methylamino)malonate hydrochloride consists of a malonic acid derivative with ethyl ester groups and a methylamino substituent. This unique configuration imparts reactivity that is highly valuable in multi-step synthetic routes. Specifically, the presence of the methylamino group allows for facile participation in condensation reactions, which are pivotal in constructing complex molecular frameworks. These reactions are often employed in the synthesis of heterocyclic compounds, which are foundational in many pharmaceutical applications.

In recent years, Diethyl 2-(methylamino)malonate hydrochloride has been extensively studied for its role in the preparation of biologically active molecules. Its ability to serve as a precursor for β-amino acid derivatives has opened new avenues in drug discovery. For instance, β-amino acids are integral components in peptidomimetics, which mimic the biological activity of natural peptides while offering improved pharmacokinetic properties. The compound's utility in constructing such mimetics underscores its importance in medicinal chemistry.

Moreover, the compound has found applications in the synthesis of chiral auxiliaries and ligands used in asymmetric catalysis. The stereochemical control afforded by Diethyl 2-(methylamino)malonate hydrochloride is crucial for producing enantiomerically pure compounds, which are often required for therapeutic efficacy and reduced toxicity. Recent advancements in catalytic systems have further highlighted its role in facilitating highly selective transformations, thereby enhancing the efficiency of synthetic processes.

The pharmaceutical industry has also explored Diethyl 2-(methylamino)malonate hydrochloride as an intermediate in the synthesis of antiviral and anticancer agents. Its structural features allow for modifications that can target specific biological pathways implicated in these diseases. For example, derivatives of this compound have been investigated for their potential to inhibit protease enzymes that are overexpressed in certain cancer types. Such studies underscore the compound's versatility and its potential as a building block for novel therapeutics.

From an industrial perspective, the production of Diethyl 2-(methylamino)malonate hydrochloride has been optimized to meet the demands of large-scale applications. Modern synthetic methodologies have focused on improving yield and purity while minimizing environmental impact. Continuous flow chemistry, for instance, has been employed to enhance reaction efficiency and scalability. These innovations not only make the compound more accessible but also align with global sustainability efforts.

The compound's role extends beyond pharmaceuticals into agrochemicals and specialty chemicals. Its reactivity makes it a valuable intermediate in synthesizing herbicides and fungicides that target specific enzymatic pathways in pests and pathogens. By leveraging its structural attributes, chemists can design molecules that exhibit high selectivity and low toxicity, addressing growing concerns about chemical residues in food chains.

In academic research, Diethyl 2-(methylamino)malonate hydrochloride continues to be a subject of investigation due to its broad utility. Researchers are exploring novel synthetic routes that could further expand its applications. Collaborative efforts between academia and industry are driving these advancements, ensuring that cutting-edge methodologies are translated into practical solutions for real-world challenges.

The future prospects of Diethyl 2-(methylamino)malonate hydrochloride are promising, with ongoing studies suggesting new possibilities for its use. As synthetic chemistry evolves, this compound is likely to remain a cornerstone in the development of innovative chemical entities. Its adaptability and reactivity ensure that it will continue to play a pivotal role in advancing scientific discovery across multiple disciplines.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:56598-98-2)Diethyl 2-(methylamino)malonate hydrochloride
A869895
Purity:99%
Quantity:5g
Price ($):210.0
Email