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CAS No.: | 59702-31-7 |
---|---|
Name: | N-Ethyl-2,3-dioxopiperazine |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C6H10N2O2 |
Molecular Weight: | 142.158 |
Synonyms: | 1-Ethyl-2,3-dioxopiperazine;1-Ethyl-2,3-piperazinedione;N-Ethylpiperazine-2,3-dione;T 1982C; |
EINECS: | 261-866-5 |
Density: | 1.145 g/cm3 |
Melting Point: | 106-110 °C(lit.) |
Boiling Point: | 346oC |
Solubility: | 2000 g/L |
Appearance: | white to pale yellow crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 49.41000 |
LogP: | -0.76860 |
N-ethylethane-1,2-diamine
oxalic acid diethyl ester
1-ethyl-2,3-dioxo-piperazine
Conditions | Yield |
---|---|
With acetic acid In methanol at 15 - 50℃; for 1h; Reagent/catalyst; | 83.21% |
6-<(+/-)-α-amino-α-(2-aminothiazol-4-yl)acetamido>penicillanic acid
4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride
A
6-<(+/-)-α-(2-aminothiazol-4-yl)-α-(4-ethyl-2,3-dioxopiperazin-1-ylcarbonylamino)acetamido>penicillanic acid
B
1-ethyl-2,3-dioxo-piperazine
Conditions | Yield |
---|---|
With sodium hydrogencarbonate 1.) THF, H2O, 0 deg C, 2.) pH=7-7.5, room temperature, 1 h; | A 21% B n/a |
1-ethyl-2,3-dioxo-piperazine
Conditions | Yield |
---|---|
With potassium hydroxide In formaldehyd | A 100% B n/a |
bis(trichloromethyl) carbonate
1-ethyl-2,3-dioxo-piperazine
4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride
Conditions | Yield |
---|---|
With pyridine; dmap; chloro-trimethyl-silane In dichloromethane at -25 - -20℃; | 94.3% |
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 10 - 20℃; for 1.06667h; Temperature; Reagent/catalyst; Green chemistry; | 93.9% |
Stage #1: 1-ethyl-2,3-dioxo-piperazine With chloro-trimethyl-silane; triethylamine In dichloromethane at 0 - 20℃; for 1h; Inert atmosphere; Schlenk technique; Stage #2: bis(trichloromethyl) carbonate In dichloromethane at -30℃; Inert atmosphere; Schlenk technique; |
Conditions | Yield |
---|---|
Stage #1: 1-ethyl-2,3-dioxo-piperazine With chloro-trimethyl-silane; triethylamine In dichloromethane at 20℃; for 1h; Cooling with ice; Stage #2: bis(trichloromethyl) carbonate In dichloromethane at -30℃; for 1h; Stage #3: C13H17NO4 With chloro-trimethyl-silane; triethylamine In dichloromethane at -40℃; for 1.5h; Cooling with ice; | 86% |
bis(trichloromethyl) carbonate
1-ethyl-2,3-dioxo-piperazine
Conditions | Yield |
---|---|
Stage #1: 1-ethyl-2,3-dioxo-piperazine With chloro-trimethyl-silane; triethylamine In dichloromethane at 20℃; for 1h; Cooling with ice; Stage #2: bis(trichloromethyl) carbonate In dichloromethane at -30℃; for 1h; Stage #3: C10H15N3O4S With chloro-trimethyl-silane; triethylamine In dichloromethane at -40 - 20℃; for 2.5h; Cooling with ice; | 86% |
1-ethyl-2,3-dioxo-piperazine
Conditions | Yield |
---|---|
Stage #1: 5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-1-(4-bromobutyl)-3-methyl-1H-indole; 1-ethyl-2,3-dioxo-piperazine With triethylamine In butan-1-ol for 4h; Reflux; Stage #2: With palladium 10% on activated carbon In ethyl acetate; ethanethiol; butan-1-ol at 45℃; for 24h; | 49.1% |
1-ethyl-2,3-dioxo-piperazine
Conditions | Yield |
---|---|
With caesium carbonate; potassium iodide In acetonitrile at 80℃; | 31.1% |
chloro-trimethyl-silane
1-ethyl-2,3-dioxo-piperazine
Conditions | Yield |
---|---|
With triethylamine In chloroform for 1h; Heating; | |
With triethylamine In dichloromethane at -10 - 0℃; for 0.2h; Solvent; Reagent/catalyst; |
ethyl (4-benzothiazol-2-ylbenzyl)phosphonochloridate hydrochloride
1-ethyl-2,3-dioxo-piperazine
(4-Benzothiazol-2-yl-benzyl)-(4-ethyl-2,3-dioxo-piperazin-1-yl)-phosphinic acid ethyl ester
Conditions | Yield |
---|---|
Yield given. Multistep reaction; |
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The N-Ethyl-2,3-dioxopiperazine is an organic compound with the formula C6H10N2O2. The IUPAC name of this chemical is 1-ethylpiperazine-2,3-dione. With the CAS registry number 59702-31-7, it is also named as 2,3-Piperazinedione, 1-ethyl-. The product's categories are Piperaizine; Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Piperazines. Besides, it should be stored in a closed cool and dry place. It is used as the organic synthesis intermediate, and it is used in producing pai pulls medicines xilin, spore pai alkone and so on.
Physical properties about N-Ethyl-2,3-dioxopiperazine are: (1)ACD/LogP: -1.56; (2)ACD/LogD (pH 5.5): -1.56; (3)ACD/LogD (pH 7.4): -1.56; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.39; (7)ACD/KOC (pH 7.4): 3.39; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 40.62 Å2; (12)Index of Refraction: 1.475; (13)Molar Refractivity: 34.94 cm3; (14)Molar Volume: 124.1 cm3; (15)Polarizability: 13.85×10-24cm3; (16)Surface Tension: 36.7 dyne/cm; (17)Density: 1.145 g/cm3.
Preparation: this chemical can be prepared by 4-ethyl-2,3-dioxo-πperazine-1-carbonyl chloride and 6-[2-amino-2-(2-amino-thiazol-4-yl)-acetylamino]-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid. This reaction will need reagent aq.sodium hydrogen carbonate. The reaction temperature is 0 °C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1C(=O)N(CC)CCN1
(2)InChI: InChI=1/C6H10N2O2/c1-2-8-4-3-7-5(9)6(8)10/h2-4H2,1H3,(H,7,9)
(3)InChIKey: ZBEKOEYCWKIMGU-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C6H10N2O2/c1-2-8-4-3-7-5(9)6(8)10/h2-4H2,1H3,(H,7,9)
(5)Std. InChIKey: ZBEKOEYCWKIMGU-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 4830mg/kg (4830mg/kg) | Yakugaku Zasshi. Journal of Pharmacy. Vol. 97, Pg. 987, 1977. |