Dimethyl 2-aminomalonate

Base Information

• Chemical Name: Dimethyl 2-aminomalonate
• CAS No.: 16115-80-3
• Molecular Formula: C5H10ClNO4
• Molecular Weight: 183.592
• Hs Code.: 29224999
• Nikkaji Number: J281.607E
• Mol file: 16115-80-3.mol

Synonyms:dimethyl 2-aminomalonate;53704-09-9;Dimethyl Aminomalonate;dimethyl 2-aminopropanedioate;DIMETHYL 2-AMINOMALONATE, TECH;Dimethyl aminomalonate HCl;EINECS 240-284-5;MFCD00829425;NSC 522525;2-Aminomalonic acid dimethyl ester;Dimethyl 2-aminomalonate,tech;SCHEMBL279148;MHDFJESNGMDHQD-UHFFFAOYSA-N;AMY15717;AKOS006223211;FT-0753093;A857347;Dimethyl 2-aminomalonate (H-DL-Gly(CO2Me)-OMe)

Chemical Property of Dimethyl 2-aminomalonate

Chemical Property:

• Appearance/Colour: light yellow crystals or crystalline powder
• Vapor Pressure: 3mmHg at 25°C
• Melting Point: 160 °C (dec.)(lit.)
• Boiling Point: 155.7 °C at 760 mmHg
• Flash Point: 33.2 °C
• PSA: 78.62000
• Density: 1.205g/cm³
• LogP: 0.16200
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: water: soluble25mg/mL, clear, colorless to faintly yellow
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 147.05315777
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

98%,99%, ^*data from raw suppliers

Dimethyl Aminomalonate Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(C(=O)OC)N
• Uses: Dimethyl aminomalonate hydrochloride (aminomalonic acid dimethyl ester hydrochloride) may be used in synthesis of methyl 3-phenyl-5-hydantoincarboxylate and Boc-Leu-Ama(OMe)2(Boc= tert-butyloxycarbonyl, Leu= leucine, Ama= aminomalonic acid). It may be used as starting reagent in the synthesis of the following:(R,S)-2-phenethylcysteine hydrochloridedimethyl 2,2,2-polynitroalkylnitroaminonitromalonatespirotryprostatin B

Technology Process of Dimethyl 2-aminomalonate

There total 2 articles about Dimethyl 2-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:

dimethyl 2-(hydroxyimino)malonate (42937-74-6) → dimethyl aminomalonate hydrochloride (16115-80-3)

Guidance literature:

dimethyl 2-(hydroxyimino)malonate; With acetic acid; zinc; In methanol; at 20 ℃;

With hydrogenchloride; In diethyl ether;

DOI:10.1021/acs.joc.0c02181

Reference yield:

→ dimethyl aminomalonate hydrochloride (16115-80-3)

Guidance literature:

With diethyl ether; aluminium amalgam; water; man faellt mit HCl das Hydrochlorid;

Reference yield: 97.0%

4-benzyloxy-2-(2-methyl-[1,3]-dioxolan-2-yl)butyric acid acid (909569-52-4) + dimethyl aminomalonate hydrochloride (16115-80-3) → 2-[4-benzyloxy-2-(2-methyl-1,3-dioxolan-2-yl)butyrylamino]malonic acid dimethyl ester (909569-46-6)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In dichloromethane; at 0 - 25 ℃; Inert atmosphere;

DOI:10.1039/b803818j

upstream raw materials:

dimethyl 2-(hydroxyimino)malonate

Downstream raw materials:

dimethyl 2-benzamidomalonate

dimethyl 2-(tert-butoxycarbonylamino)malonate

-malonsaeure-dimethylester

(N'-Phenylureido)-malonsaeure-dimethylester

Refernces