ChemicalBook--->CAS DataBase List--->59702-31-7

59702-31-7

59702-31-7 Structure

59702-31-7 Structure
IdentificationMore
[Name]

N-Ethyl-2,3-dioxopiperazine
[CAS]

59702-31-7
[Synonyms]

1-ETHYL-2,3-DIKETOPIPERAZINE
1-ETHYL-2,3-DIOXOPIPERAZINE
1-ETHYL-2,3-PIPERAZINEDIONE
1-ETHYLPIPERAZINE-2,3-DIONE
4-ETHYL-2,3-DIOXO-PIPERAZINE
4-ETHYL-2,3-DIOXYPIPERAZINE
N-ETHYL-2,3-DIKETOPIPERAZINE
N-ETHYL-2,3-DIOXOPIPERAZINE
N-ETHYLPIPERAZINE-2,3-DIONE
N-Ethyl-2,3-diketonepiperazine
N-ETHYLPIPERAZINE-2 3-DIONE 97%
1-Ethylpiperazine-2,3-dione,98+%
N-Ethyl-2,3-dioxopiperazine, 98+%
n-ethylpiperizine-2,3-dione
1-ETHYL-2,3-DIOXOPIPERAZINE/N-ETHYL-PIPERAZINEDIOXIDE
[EINECS(EC#)]

261-866-5
[Molecular Formula]

C6H10N2O2
[MDL Number]

MFCD00051825
[Molecular Weight]

142.16
[MOL File]

59702-31-7.mol
Chemical PropertiesBack Directory
[Appearance]

WHITE TO PALE YELLOW CRYSTALLINE POWDER
[Melting point ]

106-110 °C(lit.)
[Boiling point ]

259.72°C (rough estimate)
[density ]

0.64
[refractive index ]

1.5010 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

2000 g/L
[form ]

Solid
[pka]

12.57±0.20(Predicted)
[color ]

White to Off-White
[Water Solubility ]

2000 g/L
[BRN ]

879076
[Major Application]

pharmaceutical
[InChI]

InChI=1S/C6H10N2O2/c1-2-8-4-3-7-5(9)6(8)10/h2-4H2,1H3,(H,7,9)
[InChIKey]

ZBEKOEYCWKIMGU-UHFFFAOYSA-N
[SMILES]

N1(CC)CCNC(=O)C1=O
[CAS DataBase Reference]

59702-31-7(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

TL6380250
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Ethyl-2,3-piperazinedione(59702-31-7).msds
Hazard InformationBack Directory
[Chemical Properties]

1-Ethyl-2,3-dioxopiperazine is WHITE TO PALE YELLOW CRYSTALLINE POWDER
[Uses]

1-Ethyl-2,3-dioxopiperazine (Piperacillin EP Impurity E; Piperacillin USP Related Compound E) is an intermediate used in the new process for the synthesis of Piperacillin sodium.
[Uses]

1-Ethyl-2,3-dioxopiperazine is an intermediate used in the new process for the synthesis of Piperacillin sodium.
[Synthesis]

2-Aminoethyl(ethyl)amine

110-72-5

Diethyl oxalate

95-92-1

1-Ethyl-2,3-dioxopiperazine

59702-31-7

A. Prepare Mixed Solution A by dissolving 11 g of N-ethyl ethylenediamine in 8 g of anhydrous methanol.B. Add 25 ml of anhydrous methanol to a dry three-necked flask and 2 g of glacial acetic acid under stirring, and when it is completely dissolved, 11 g of diethyl oxalate was slowly added at 25-30 °C, and the temperature of the reaction system was subsequently lowered to 15-20 °C. This mixed solution was transferred to a dropping funnel and set aside.C. Mixed Solution A was slowly added dropwise to Mixed Solution B, keeping the reaction temperature between 30-50 °C for 30-50 min. After the reaction was completed, the temperature was raised to 50°C and the reaction was continued for 1 hour. At the end of the reaction, methanol was removed by concentration under reduced pressure.D. 66 ml of solvent B was added to the reaction mixture and the temperature of the system was slowly lowered from 50 °C to room temperature (25-30 °C) to allow the product to crystallize slowly. Finally 14.77 g of N-ethyl-2,3-dioxopiperazine was obtained in 83.21% yield and 99.32% purity.

[References]

[1] Patent: CN107417630, 2017, A. Location in patent: Paragraph 0017-0041
Spectrum DetailBack Directory
[Spectrum Detail]

1-Ethyl-2,3-dioxopiperazine(59702-31-7)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

N-Ethyl-2,3-dioxopiperazine, 98+%(59702-31-7)
[Alfa Aesar]

1-Ethylpiperazine-2,3-dione, 97%(59702-31-7)
[Sigma Aldrich]

59702-31-7(sigmaaldrich)
[TCI AMERICA]

1-Ethyl-2,3-dioxopiperazine,>98.0%(GC)(59702-31-7)
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