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Name |
2,5-Piperazinedione |
EINECS | 203-411-5 |
CAS No. | 106-57-0 | Density | 1.247 g/cm3 |
PSA | 58.20000 | LogP | -1.11000 |
Solubility | Soluble in water (142mg/L). | Melting Point |
>300 °C(lit.) |
Formula | C4H6N2O2 | Boiling Point | 573.65 °C at 760 mmHg |
Molecular Weight | 114.104 | Flash Point | 301.886 °C |
Transport Information | N/A | Appearance | white to slightly yellow crystalline powder |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,5-Diketopiperazine;2,5-Dioxopiperazine;Cyclo(glycylglycyl);Cyclodiglycine;Cycloglycylglycine;Diglycolyl diamide;Diketopiperazine;Glycine, N-glycyl-, cyclic peptide;Glycine, bimol. cyclic peptide;Glycylglycine lactam;NSC 26345;alpha,gamma-Diacipiperazine; |
Article Data | 121 |
Conditions | Yield |
---|---|
With 14C2H7N*14H(1+)*2H2O*2O(2-)*2Zr(4+)*O122P4W34(18-) In dimethyl sulfoxide at 70℃; for 24h; Solvent; Reagent/catalyst; | 100% |
With silica gel In gas at 180 - 200℃; under 0.08 Torr; | 46% |
With hydrogenchloride at 150 - 160℃; im Rohr; |
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide under 12901.3 Torr; for 0.333333h; Microwave irradiation; Heating; | 95% |
In ethylene glycol at 170 - 180℃; for 6h; | 62% |
With Silochrom C-120 at 170 - 180℃; under 0.1 Torr; | 13% |
glycine ethyl ester hydrochloride
4-bromo-benzaldehyde
A
Glycine anhydride
B
methyl 2-[(E)-[(4-bromophenyl)methylidene]amino]acetate
Conditions | Yield |
---|---|
With magnesium sulfate; triethylamine In dichloromethane for 1h; Heating; | A n/a B 91% |
benzaldehyde
phosphonic acid diethyl ester
GlyOEt*HCl
A
Glycine anhydride
Conditions | Yield |
---|---|
With 4 A molecular sieve In dichloromethane for 24h; Kabachnik-Fields reaction; | A n/a B 85% |
C19H23N2O4PS
Glycine anhydride
Conditions | Yield |
---|---|
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dimethyl sulfoxide at 70℃; for 336h; | 79% |
N,N'-dibromo-2,5-piperazinedione (NBP)
A
Glycine anhydride
Conditions | Yield |
---|---|
With ethyloxirane; 3,4-dihydro-2H-pyran In acetonitrile for 3h; Ambient temperature; Irradiation; | A 75% B 2% C 5% D 2% |
C19H21F2N2O5P
Glycine anhydride
Conditions | Yield |
---|---|
With 1,8-diazabicyclo[5.4.0]undec-7-ene for 504h; | 74% |
sodium butyl(nitrosulfo)acetate
A
Glycine anhydride
Conditions | Yield |
---|---|
With hydrogen; palladium on activated charcoal In ethanol for 24h; | A 40% B 72% |
glycine ethyl ester hydrochloride
benzaldehyde
A
Glycine anhydride
B
(E)-N-benzylideneglycine methyl ester
Conditions | Yield |
---|---|
With magnesium sulfate; triethylamine In dichloromethane for 1h; Heating; | A n/a B 65% |
methyl [({[(benzyloxy)carbonyl]amino}acetyl)amino]acetate
Glycine anhydride
Conditions | Yield |
---|---|
With hydrogen bromide; acetic acid In methanol for 12h; Ambient temperature; | 62% |
The 2,5-Piperazinedione, with the CAS registry number 106-57-0, is also known as Diglycolyl diamide. Its EINECS number is 203-411-5. This chemical's molecular formula is C4H6N2O2 and molecular weight is 114.1. What's more, its systematic name is piperazine-2,5-dione. Its classification code is Drug/Therapeutic Agent. It should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from strong oxides, heat and fire. The workplace should be equipped with fire-fighting equipments. It is used as biochemical reagents. When using it, you should avoid contacting with skin and eyes.
Physical properties of 2,5-Piperazinedione are: (1)ACD/LogP: -2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.56; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 40.62 Å2; (10)Index of Refraction: 1.467; (11)Molar Refractivity: 25.4 cm3; (12)Molar Volume: 91.5 cm3; (13)Surface Tension: 38.1 dyne/cm; (14)Density: 1.246 g/cm3; (15)Flash Point: 301.9 °C; (16)Enthalpy of Vaporization: 85.96 kJ/mol; (17)Boiling Point: 573.7 °C at 760 mmHg; (18)Vapour Pressure: 3.64E-13 mmHg at 25°C.
Preparation: this chemical can be prepared by glycine by heating. This reaction will need reagent SiO2 and solvent toluene with the reaction time of 20 hours. The yield is about 44.3%.
Uses of 2,5-Piperazinedione: it can be used to produce 1,4-diacetylpiperazine by heating. The reaction time is 6 hours. The yield is about 91%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(=O)NCC(=O)N1
(2)InChI: InChI=1S/C4H6N2O2/c7-3-1-5-4(8)2-6-3/h1-2H2,(H,5,8)(H,6,7)
(3)InChIKey: BXRNXXXXHLBUKK-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD | intraperitoneal | > 500mg/kg (500mg/kg) | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 227, 1954. |