Diethyl aminomalonate

Base Information

• Chemical Name: Diethyl aminomalonate
• CAS No.: 6829-40-9
• Molecular Formula: C7H13NO4
• Molecular Weight: 175.185
• Hs Code.: 2922499990
• European Community (EC) Number: 229-905-0
• NSC Number: 121992
• DSSTox Substance ID: DTXSID30987815
• Nikkaji Number: J26.338I
• Wikidata: Q72441220
• Metabolomics Workbench ID: 71573
• Mol file: 6829-40-9.mol

Synonyms:diethyl aminomalonate;diethyl aminomalonate hydrochloride

Chemical Property of Diethyl aminomalonate

Chemical Property:

• Appearance/Colour: Colourless oil
• Melting Point: 88oC
• Refractive Index: 1.4353 (estimate)
• Boiling Point: 200 °C at 760 mmHg
• PKA: 15.34±0.59(Predicted)
• Flash Point: 52.3 °C
• PSA: 78.62000
• Density: 1.129 g/cm³
• LogP: 0.14020
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 175.08445790
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

99%, ^*data from raw suppliers

Diethyl2-Aminomalonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C(=O)OCC)N
• Uses: Reagent used in the synthesis of Imidazole derivatives. 2-AMINODIETHYLMALONATE is used in the synthesis of Imidazole derivatives.

Technology Process of Diethyl aminomalonate

There total 15 articles about Diethyl aminomalonate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

diethyl aminomalonate hydrochloride (13433-00-6) → aminomalonic acid diethyl ester (6829-40-9)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; water;

Reference yield: 91.0%

diethyl 2,2-diazidomalonate (168207-98-5) → aminomalonic acid diethyl ester (6829-40-9)

Guidance literature:

With 15 mol% Pd/C; hydrogen; In dichloromethane; at 23 ℃; for 1h; under 5171.62 Torr; Autoclave;

DOI:10.1016/j.tetlet.2017.09.066

Reference yield: 90.9%

diethyl oximinomalonate (6829-41-0) → aminomalonic acid diethyl ester (6829-40-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; under 760 Torr; Ambient temperature;

DOI:10.1021/jo00227a009

upstream raw materials:

diethyl oximinomalonate

diethyl nitromalonate

diethyl malonate

2-acetylaminomalonic acid diethyl ester

Downstream raw materials:

(benzylsulfanylthiocarbonyl-amino)-malonic acid diethyl ester

diethyl 2-[[2-(benzyloxycarbonylamino)acetyl]amino]propanedioate

(2-phenyl-thioacetylamino)-malonic acid diethyl ester

Cbo-L-alanyl-aminomalonsaeurediethylester

Refernces

• 1、 -. "A TRANSITION METAL COMPLEX COMPOUND". Page/Page column 17. . Retrieved 2021/07/31.
• 2、 Charoensetakul, Netnapa,Khamkhenshorngphanuch, Thitiphong,Srikun, Onsiri,Srimongkolpithak, Nitipol,Thongpanchang, Chawanee,Tiyasakulchai, Thanat,Yuthavong, Yongyuth. "Scalable synthesis of favipiravir: Via conventional and continuous flow chemistry". . p. 38691 - 38693. Retrieved 2021/12/20.