CID 11127562

Base Information

• Chemical Name: CID 11127562
• CAS No.: 13433-00-6
• Molecular Formula: C7H14ClNO4
• Molecular Weight: 211.645
• Hs Code.: 2922.49
• Mol file: 13433-00-6.mol

Synonyms:AKOS023093284

Chemical Property of CID 11127562

Chemical Property:

• Appearance/Colour: white to slightly yellow crystalline powder
• Vapor Pressure: 0.332mmHg at 25°C
• Melting Point: 165-170 °C
• Boiling Point: 200 °C at 760 mmHg
• Flash Point: 52.3 °C
• PSA: 78.62000
• Density: 1.129 g/cm³
• LogP: 0.94220
• Storage Temp.: Store below +30°C.
• Sensitive.: Hygroscopic
• Solubility.: Chloroform, DMSO, Water
• Water Solubility.: soluble
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 211.0611356
• Heavy Atom Count: 13
• Complexity: 151

Purity/Quality:

99%min, ^*data from raw suppliers

Diethyl 2-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

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)C(C(=O)OCC)[NH3+].[Cl-]
• Uses: Diethyl aminomalonate hydrochloride is used as a pharmaceutical intermediate. Diethyl aminomalonate with formaldehyde generates an azomethine ylide which can undergo cycloadditions with 1,2-dipolarophiles to form pyrrolidines.

Technology Process of CID 11127562

There total 5 articles about CID 11127562 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: 91.0%

diethyl oximinomalonate (6829-41-0) → diethyl aminomalonate hydrochloride (13433-00-6)

Guidance literature:

diethyl oximinomalonate; With hydrogen; In ethanol; at 40 - 50 ℃; for 6h; under 7500.75 - 15001.5 Torr;

With hydrogenchloride; In ethanol; at 0 - 5 ℃; for 1h; Solvent;

Reference yield:

formylamino-piperidinomethyl-malonic acid diethyl ester (202979-89-3) → diethyl aminomalonate hydrochloride (13433-00-6) + (2S)-piperidinylmethanol hydrochloride + 2-Amino-2-piperidin-1-ylmethyl-malonic acid diethyl ester; hydrochloride

Guidance literature:

With hydrogenchloride; at 30 ℃; for 2h; Title compound not separated from byproducts;

DOI:10.1248/cpb.46.142

Reference yield:

ethanol (64-17-5) → diethyl aminomalonate hydrochloride (13433-00-6)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

formylamino-piperidinomethyl-malonic acid diethyl ester

ethanol

diethyl oximinomalonate

Downstream raw materials:

diethyl 2-phenylthioamidomalonate

Diethyl-N'-methylureidomalonat

diethyl 3-(p-chlorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole-2,2-dicarboxylate

4-(carboethoxy)-5-hydroxy-2-(β-D-ribofuranosyl)-imidazole

Refernces

• 1、 -. "Preparation method of diethyl amino-malonate hydrochloride". Paragraph 0024-0031. . Retrieved 2021/12/07.
• 2、 -. "METHYLPYRROLOPYRIMIDINECARBOXAMIDES". Page/Page column 125. . Retrieved 2012/06/18.