[(2S)-1,5-diethoxy-1,5-dioxopentan-2-yl]azanium;chloride

Base Information

• Chemical Name: [(2S)-1,5-diethoxy-1,5-dioxopentan-2-yl]azanium;chloride
• CAS No.: 1118-89-4
• Molecular Formula: C9H17NO4^.HCl
• Molecular Weight: 239.699
• Hs Code.: 29224210
• Mol file: 1118-89-4.mol

Synonyms:SCHEMBL16212183

Chemical Property of [(2S)-1,5-diethoxy-1,5-dioxopentan-2-yl]azanium;chloride

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 0.0112mmHg at 25°C
• Melting Point: 108-110 °C
• Refractive Index: 22.5 ° (C=3.6, EtOH)
• Boiling Point: 262 °C at 760 mmHg
• Flash Point: 86.3 °C
• PSA: 78.62000
• Density: 1.08g/cm3
• LogP: 1.72240
• Storage Temp.: −20°C
• Water Solubility.: Soluble in water
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 239.0924357
• Heavy Atom Count: 15
• Complexity: 193

Purity/Quality:

99% ^*data from raw suppliers

L-Glutamic acid diethyl ester HCl ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCC(C(=O)OCC)[NH3+].[Cl-]
• Isomeric SMILES: CCOC(=O)CC[C@@H](C(=O)OCC)[NH3+].[Cl-]
• Uses: L-Glutamic Acid Diethyl Ester Hydrochloride is a derivative of L-Glutamic Acid (G596960), a non-essential amino acid. L-Glutamic acid diethyl ester hydrochloride can be used in the synthesis of:Oligo(γ-ethyl L-glutamate) via oligomerization catalyzed by papain.L-glutamic acid based dendritic compounds.Poly(α-peptide) by polymerization and copolymerization in the presence of protease catalysts.

Technology Process of [(2S)-1,5-diethoxy-1,5-dioxopentan-2-yl]azanium;chloride

There total 5 articles about [(2S)-1,5-diethoxy-1,5-dioxopentan-2-yl]azanium;chloride 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%

L-glutamic acid (56-86-0,21675-62-7,23009-64-5,25104-13-6,84960-48-5,25513-46-6) + acetyl chloride (75-36-5) → diethyl-L-glutamate hydrochloride (1118-89-4)

Guidance literature:

In ethanol; at 0 ℃; for 4h; Reflux;

DOI:10.3390/molecules22030354

Reference yield: 98.0%

ethanol (64-17-5) + L-glutamic acid (56-86-0,21675-62-7,23009-64-5,25104-13-6,84960-48-5,25513-46-6) → diethyl-L-glutamate hydrochloride (1118-89-4)

Guidance literature:

With thionyl chloride;

DOI:10.1080/00397910903051259

Reference yield:

ethanol (64-17-5) + (S)-2-Amino-pentanedioic acid 5-ethyl ester (1119-33-1) → diethyl-L-glutamate hydrochloride (1118-89-4)

Guidance literature:

With thionyl chloride; at 20 ℃; for 25h; Cooling with ice;

DOI:10.1016/j.ijpharm.2018.05.021

upstream raw materials:

L-glutamic acid

ethanol

acetyl chloride

(S)-2-Amino-pentanedioic acid 5-ethyl ester

Downstream raw materials:

(2S)-2-[(2S)-2-carboxybenzylamino-4-(ethoxycarbonyl)butanoyl]aminopentanedioic acid diethyl ester

2-benzyloxycarbonylamino-pentanedioic acid diethyl ester

diethyl N-(p-nitrobenzyl)-L-glutamate

(S)-2-{4-[2-(2,4-Diamino-pteridin-6-yl)-ethyl]-benzoylamino}-pentanedioic acid diethyl ester

Refernces

• 1、 -. "Green preparation method of N-substituted-L-pyroglutamate". Paragraph 0051; 0052. . Retrieved 2018/03/28.
• 2、 Moshikur, Rahman Md.,Chowdhury, Md. Raihan,Wakabayashi, Rie,Tahara, Yoshiro,Moniruzzaman, Muhammad,Goto, Masahiro. "Characterization and cytotoxicity evaluation of biocompatible amino acid esters used to convert salicylic acid into ionic liquids". . p. 31 - 38. Retrieved 2018/05/28.