ChemicalBook--->CAS DataBase List--->5262-10-2

5262-10-2

5262-10-2 Structure

5262-10-2 Structure
IdentificationBack Directory
[Name]

5-BENZYL-3,6-DIOXO-2-PIPERAZINEACETIC ACID
[CAS]

5262-10-2
[Synonyms]

CYCLO(-ASP-PHE)
Cyclo(Phe-Asp-)
CYCLO(L-ASP-L-PHE)
Aspartame impurity A CRS
cyclo(aspartyl-phenylalanyl)
AspartaMe Related CoMpound A
Aspartame USP Related Compound A
2-(5-Benzyl-3,6-dioxopiperazin-2-yl)
5-BENZYL-3,6-DIOXO-2-PIPERAZINEACETIC ACID
5β-Benzyl-3,6-dioxopiperazine-2β-acetic acid
Aspartame Impurity 1(Aspartame EP Impurity A)
(2S-cis)-(-)-5-benzyl-3,6-dioxo-2-piperazineaceti
(2S)-3,6-Dioxo-5β-benzylpiperazine-2β-acetic acid
(2S,5S)-5-Benzyl-3,6-dioxo-2-piperazineacetic Acid
Aspartame EP Impurity A/ Aspartame Related Compound A
2-((2S,5S)-5-benzyl-3,6-dioxopiperazin-2-yl)acetic acid
(2S-CIS)-(-)-5-BENZYL-3,6-DIOXO-2-PIPERAZINEACETIC ACID
(2S)-3,6-Dioxo-5β-(phenylmethyl)-2β-piperazineacetic acid
(2S,5S)-3,6-Dioxo-5-(phenylMethyl)-2-piperazineacetic Acid
(2S-cis)-3,6-Dioxo-5-(phenylMethyl)-2-piperazineacetic Acid
(2S-cis)-(-)-5-Benzyl-3,6-dioxo-2-piperazineacetic acid 97%
2-[(2S,5S)-5-(benzyl)-3,6-diketo-piperazin-2-yl]acetic acid
2-Piperazineacetic acid, 3,6-dioxo-5-(phenylmethyl)-, (2S,5S)-
2-[(2S,5S)-3,6-dioxo-5-(phenylmethyl)piperazin-2-yl]acetic acid
2-[(2S,5S)-3,6-dioxo-5-(phenylmethyl)piperazin-2-yl]ethanoic acid
Cefadroxil Impurity 3(Aspartame Degradation Product,Aspartame Impurity A)
AspartaMe-Related CoMpound A, (2S,5S)-5-Benzyl-3,6-dioxo2-piperazineacetic acid
Aspartame Related Compound A (25 mg) (5-Benzyl-3,6-dioxo-2-piperazineacetic Acid)
[EINECS(EC#)]

226-075-1
[Molecular Formula]

C13H14N2O4
[MDL Number]

MFCD00211320
[MOL File]

5262-10-2.mol
[Molecular Weight]

262.26
Chemical PropertiesBack Directory
[Melting point ]

270-272 °C(lit.)
[Boiling point ]

667.4±40.0 °C(Predicted)
[density ]

1.298±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Acetic Acid (Slightly, Heated, Sonicated), DMSO (Slightly)
[form ]

neat
[pka]

4.02±0.10(Predicted)
[color ]

White to Off-White
[Optical Rotation]

[α]20/D 9.0°, c = 0.9 in acetic acid
[Major Application]

cleaning products
cosmetics
food and beverages
personal care
[InChI]

InChI=1S/C13H14N2O4/c16-11(17)7-10-13(19)14-9(12(18)15-10)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,14,19)(H,15,18)(H,16,17)/t9-,10-/m0/s1
[InChIKey]

VNHJXYUDIBQDDX-UWVGGRQHSA-N
[SMILES]

N1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]1CC(O)=O
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[HS Code ]

2933599550
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

The diketopiperazine impurity of the sweetening agent Aspartame (A790015). It is also found in in processed cocoa powder.
[General Description]

(2S-cis)-(-)-5-Benzyl-3,6-dioxo-2-piperazineacetic acid is a piperazine scaffold that can be used to construct biologically active compounds with therapeutic applications.
Spectrum DetailBack Directory
[Spectrum Detail]

5-BENZYL-3,6-DIOXO-2-PIPERAZINEACETIC ACID(5262-10-2)IR
5-BENZYL-3,6-DIOXO-2-PIPERAZINEACETIC ACID(5262-10-2)FT-IR
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