13552-87-9

Basic information

• Product Name: DIETHYL ASPARTATE
• Synonyms: DIETHYL ASPARTATE;[S,(+)]-Aminosuccinic acid diethyl ester;L-Aspartic acid diethyl;L-Aspartic diethyl ester
• CAS NO: 13552-87-9
• Molecular Formula: C₈H₁₅NO₄
• Molecular Weight: 189.209
• EINECS: 256-095-6
• Mol File: 13552-87-9.mol
• Article Data: 7

Chemical Properties

• Melting Point: 178-180 °C
• Boiling Point: 259.5°Cat760mmHg
• Flash Point: 97.5°C
• Appearance: /
• Density: 1.102g/cm³
• Vapor Pressure: 0.0129mmHg at 25°C
• Refractive Index: 1.45
• PKA: 6.19±0.33(Predicted)
• CAS DataBase Reference: DIETHYL ASPARTATE(CAS DataBase Reference)
• NIST Chemistry Reference: DIETHYL ASPARTATE(13552-87-9)
• EPA Substance Registry System: DIETHYL ASPARTATE(13552-87-9)

Safety Data

• Hazardous Substances Data: 13552-87-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C8H15NO4/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6H,3-5,9H2,1-2H3/t6-/m0/s1

Upstream product

• 64-17-5 ethanol 
• 70-47-3 L-asparagine 
• 56-84-8 L-Aspartic acid 
• 43101-48-0 DL-aspartic acid diethyl ester 
• 57471-70-2 diethyl N-benzyloxycarbonyl-(S)-aspartate 
• 39256-89-8 N-Benzyloxycarbonyl-L-asparaginsaeure-β-aethylester 
• 16115-68-7 diethyl L-aspartate hydrochloride 
• 122-51-0 orthoformic acid triethyl ester 

Downstream Products

• 101106-34-7 N-phenylsulfanylcarbonyl-L-aspartic acid diethyl ester 
• 16804-55-0 γ-Glu-asp 
• 121395-04-8 diethyl N²,N⁶-bis((benzyloxy)carbonyl)-L-lysyl-L-aspartate 
• 56-84-8 L-Aspartic acid 
• 7554-28-1 diethyl (R)-malate 
• 763-51-9 diethyl 2-bromosuccinate 
• 68561-50-2 N,N'-(3,6-dioxo-cyclohexadiene-(1.4)-diyl-(1.4))-bis-L-aspartic acid tetraethyl ester 
• 100658-82-0 N-(N-benzyloxycarbonyl-L-α-glutamyl)-L-aspartic acid diethyl ester 
• 77327-26-5 N-(benzyloxycarbonyl)-L-seryl-L-aspartic diethyl ester 
• 115446-39-4 (S)-2-((S)-6-Benzyloxycarbonylamino-2-tert-butoxycarbonylamino-hexanoylamino)-succinic acid diethyl ester 
• 59903-70-7 (S)-2-[1-Methyl-2-phenyl-eth-(Z)-ylideneamino]-succinic acid diethyl ester 
• 104830-35-5 N-[(4-methylphenyl)sulfonyl]-L-aspartic acid 1,4-diethyl ester 
• 103841-64-1 (S)-ethyl 4-hydroxy-3-[[(phenylmethoxy)carbonyl]amino]butanoate 
• 103841-66-3 ethyl (S)-3-benzylamino-4-2'-tetrahydropyranoxybutyrate 

Relevant articles and documents

-

-

Ionic liquids with methotrexate moieties as a potential anticancer prodrug: Synthesis, characterization and solubility evaluation

The technological utility of active pharmaceutical ingredients (APIs) is enormously improved when they are converted into ionic liquids (ILs). API-ILs possess better aqueous solubility and thermal stability than that of solid-state salt or crystalline drugs. However, many such API-ILs are not biocompatible or biodegradable. In the current study, we synthesized a series of IL-APIs using methotrexate (MTX), a potential anticancer prodrug, and biocompatible IL-forming cations (choline and amino acid esters). The MTX-IL moieties were characterized through 1H NMR, FTIR, p-XRD, DSC and thermogravimetric analysis. The solubility of the MTX-ILs was evaluated in simulated body fluids (phosphate-buffered saline, simulated gastric, and simulated intestinal fluids). An assessment of the in vitro antitumor activity of the MTX-ILs in a mammalian cell line (HeLa cells) was used to evaluate their cytotoxicity. The MTX-ILs showed aqueous solubility at least 5000 times higher than that of free MTX and two orders of magnitude higher compared with that of a sodium salt of MTX in both water and simulated body fluids. Importantly, a proline ethyl ester MTX prodrug showed similar solubility as the MTX sodium salt but it provided improved in vitro antitumor activity. These results clearly suggest that the newly synthesized API-ILs represent promising potential drug formulations.

Novel pyridinium-type fullerene derivatives as multitargeting inhibitors of HIV-1 reverse transcriptase, HIV-1 protease, and HCV NS5B polymerase

In the present study, we newly synthesized four types of novel fullerene derivatives: pyridinium/ethyl ester-type derivatives 3b?3l, pyridinium/carboxylic acid-type derivatives 4a, 4e, 4f, pyridinium/amide-type derivative 5a, and pyridinium/2-morpholinone