Product Name

  • Name

    N-Ethyl-2,3-dioxopiperazine

  • EINECS 261-866-5
  • CAS No. 59702-31-7
  • Article Data6
  • CAS DataBase
  • Density 1.145 g/cm3
  • Solubility 2000 g/L
  • Melting Point 106-110 °C(lit.)
  • Formula C6H10N2O2
  • Boiling Point 346oC
  • Molecular Weight 142.158
  • Flash Point
  • Transport Information
  • Appearance white to pale yellow crystalline powder
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 59702-31-7 (N-Ethyl-2,3-dioxopiperazine)
  • Hazard Symbols IrritantXi
  • Synonyms 1-Ethyl-2,3-dioxopiperazine;1-Ethyl-2,3-piperazinedione;N-Ethylpiperazine-2,3-dione;T 1982C;
  • PSA 49.41000
  • LogP -0.76860

Synthetic route

N-ethylethane-1,2-diamine
110-72-5

N-ethylethane-1,2-diamine

oxalic acid diethyl ester
95-92-1

oxalic acid diethyl ester

1-ethyl-2,3-dioxo-piperazine
59702-31-7

1-ethyl-2,3-dioxo-piperazine

Conditions
ConditionsYield
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
85208-10-2

6-<(+/-)-α-amino-α-(2-aminothiazol-4-yl)acetamido>penicillanic acid

4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride
59703-00-3

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
85208-19-1, 85208-20-4, 85280-44-0

6-<(+/-)-α-(2-aminothiazol-4-yl)-α-(4-ethyl-2,3-dioxopiperazin-1-ylcarbonylamino)acetamido>penicillanic acid

B

1-ethyl-2,3-dioxo-piperazine
59702-31-7

1-ethyl-2,3-dioxo-piperazine

Conditions
ConditionsYield
With sodium hydrogencarbonate 1.) THF, H2O, 0 deg C, 2.) pH=7-7.5, room temperature, 1 h;A 21%
B n/a
...Expand
1-ethyl-2,3-dioxo-piperazine
59702-31-7

1-ethyl-2,3-dioxo-piperazine

A

1-ethyl-4-(mercaptomethyl)-piperazine-2,3-dione

1-ethyl-4-(mercaptomethyl)-piperazine-2,3-dione

B

1-ethyl-4-(hydroxymethyl)-piperazine-2,3-dione

1-ethyl-4-(hydroxymethyl)-piperazine-2,3-dione

Conditions
ConditionsYield
With potassium hydroxide In formaldehydA 100%
B n/a
bis(trichloromethyl) carbonate
32315-10-9

bis(trichloromethyl) carbonate

1-ethyl-2,3-dioxo-piperazine
59702-31-7

1-ethyl-2,3-dioxo-piperazine

4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride
59703-00-3

4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride

Conditions
ConditionsYield
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;
bis(trichloromethyl) carbonate
32315-10-9

bis(trichloromethyl) carbonate

C13H17NO4

C13H17NO4

1-ethyl-2,3-dioxo-piperazine
59702-31-7

1-ethyl-2,3-dioxo-piperazine

C20H25N3O7

C20H25N3O7

Conditions
ConditionsYield
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%
...Expand
bis(trichloromethyl) carbonate
32315-10-9

bis(trichloromethyl) carbonate

C10H15N3O4S

C10H15N3O4S

1-ethyl-2,3-dioxo-piperazine
59702-31-7

1-ethyl-2,3-dioxo-piperazine

C17H23N5O7S

C17H23N5O7S

Conditions
ConditionsYield
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%
...Expand
5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-1-(4-bromobutyl)-3-methyl-1H-indole

5-(benzyloxy)-2-(4-(benzyloxy)phenyl)-1-(4-bromobutyl)-3-methyl-1H-indole

1-ethyl-2,3-dioxo-piperazine
59702-31-7

1-ethyl-2,3-dioxo-piperazine

1-ethyl-4-{4-[5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl]butyl}piperazinedione

1-ethyl-4-{4-[5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl]butyl}piperazinedione

Conditions
ConditionsYield
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%
5,5'-diallyl-3-(chloromethyl)[1,1'-biphenyl]-2,2'-diol

5,5'-diallyl-3-(chloromethyl)[1,1'-biphenyl]-2,2'-diol

1-ethyl-2,3-dioxo-piperazine
59702-31-7

1-ethyl-2,3-dioxo-piperazine

1-((5,5'-diallyl-2,2'-dihydroxy-[1,1'-biphenyl]-3-yl)methyl)-4-ethylpiperazine-2,3-dione

1-((5,5'-diallyl-2,2'-dihydroxy-[1,1'-biphenyl]-3-yl)methyl)-4-ethylpiperazine-2,3-dione

Conditions
ConditionsYield
With caesium carbonate; potassium iodide In acetonitrile at 80℃;31.1%
chloro-trimethyl-silane
75-77-4

chloro-trimethyl-silane

1-ethyl-2,3-dioxo-piperazine
59702-31-7

1-ethyl-2,3-dioxo-piperazine

1-Ethyl-4-trimethylsilanyl-piperazine-2,3-dione

1-Ethyl-4-trimethylsilanyl-piperazine-2,3-dione

Conditions
ConditionsYield
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
104608-47-1

ethyl (4-benzothiazol-2-ylbenzyl)phosphonochloridate hydrochloride

1-ethyl-2,3-dioxo-piperazine
59702-31-7

1-ethyl-2,3-dioxo-piperazine

(4-Benzothiazol-2-yl-benzyl)-(4-ethyl-2,3-dioxo-piperazin-1-yl)-phosphinic acid ethyl ester
127881-48-5

(4-Benzothiazol-2-yl-benzyl)-(4-ethyl-2,3-dioxo-piperazin-1-yl)-phosphinic acid ethyl ester

Conditions
ConditionsYield
Yield given. Multistep reaction;
tert-butyl 3-bromopropionate
55666-43-8

tert-butyl 3-bromopropionate

1-ethyl-2,3-dioxo-piperazine
59702-31-7

1-ethyl-2,3-dioxo-piperazine

3-(4-ethyl-2,3-dioxo-piperazin-1-yl)propionic acid tert-butyl ester
610311-90-5

3-(4-ethyl-2,3-dioxo-piperazin-1-yl)propionic acid tert-butyl ester

Conditions
ConditionsYield
With polystyrene-bound 2-tert-butylimino-2-diethylamino-1,3-dimethyl-perhydro-1,3,2-diazaphosphorine In acetonitrile at 22℃; for 16h; Polystyrene;
[2-(4-(bromomethyl)phenyl)ethyl]carbamic acid tert-butyl ester
914103-95-0

[2-(4-(bromomethyl)phenyl)ethyl]carbamic acid tert-butyl ester

1-ethyl-2,3-dioxo-piperazine
59702-31-7

1-ethyl-2,3-dioxo-piperazine

1-[4-(2-aminoethyl)benzyl]-4-ethylpiperazine-2,3-dione hydrochloride
914104-05-5

1-[4-(2-aminoethyl)benzyl]-4-ethylpiperazine-2,3-dione hydrochloride

Conditions
ConditionsYield
Stage #1: [2-(4-(bromomethyl)phenyl)ethyl]carbamic acid tert-butyl ester; 1-ethyl-2,3-dioxo-piperazine With sodium hydride In N,N-dimethyl-formamide at 1 - 30℃; for 1h;
Stage #2: With potassium hydrogensulfate; water; sodium hydrogencarbonate In ethyl acetate; N,N-dimethyl-formamide
Stage #3: With hydrogenchloride In ethyl acetate at 1 - 30℃; for 1h;
5-chloro-N-((1-(4-iodophenyl)-1H-imidazol-4-yl)methyl)thiophene-2-carboxamide
945559-61-5

5-chloro-N-((1-(4-iodophenyl)-1H-imidazol-4-yl)methyl)thiophene-2-carboxamide

1-ethyl-2,3-dioxo-piperazine
59702-31-7

1-ethyl-2,3-dioxo-piperazine

5-chloro-N-((1-(4-(4-ethyl-2,3-dioxopiperazin-1-yl)phenyl)-1H-imidazol-4-yl)methyl)thiophene-2-carboxamide

5-chloro-N-((1-(4-(4-ethyl-2,3-dioxopiperazin-1-yl)phenyl)-1H-imidazol-4-yl)methyl)thiophene-2-carboxamide

Conditions
ConditionsYield
With potassium carbonate; N,N`-dimethylethylenediamine; copper(l) iodide In 1,4-dioxane; dimethyl sulfoxide at 110℃;
bromoacetic acid tert-butyl ester
5292-43-3

bromoacetic acid tert-butyl ester

1-ethyl-2,3-dioxo-piperazine
59702-31-7

1-ethyl-2,3-dioxo-piperazine

(4-ethyl-2, 3-dioxo-piperazin-1-yl)-acetic acid
488846-73-7

(4-ethyl-2, 3-dioxo-piperazin-1-yl)-acetic acid

Conditions
ConditionsYield
With potassium carbonate In tert-butyl alcohol
phosgene
75-44-5

phosgene

1-ethyl-2,3-dioxo-piperazine
59702-31-7

1-ethyl-2,3-dioxo-piperazine

4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride
59703-00-3

4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride

Conditions
ConditionsYield
With chloro-trimethyl-silane; triethylamine In tetrahydrofuran; 1,4-dioxane
1-ethyl-2,3-dioxo-piperazine
59702-31-7

1-ethyl-2,3-dioxo-piperazine

sodium 4-ethyl-2,3-dioxopiperazine

sodium 4-ethyl-2,3-dioxopiperazine

Conditions
ConditionsYield
With 1H-imidazole; sodium In 1,2-dimethoxyethane for 10h; Solvent; Reagent/catalyst; Reflux; Industrial scale;
1-ethyl-2,3-dioxo-piperazine
59702-31-7

1-ethyl-2,3-dioxo-piperazine

(4-ethyl-2, 3-dioxo-piperazin-1-yl)-acetic acid
488846-73-7

(4-ethyl-2, 3-dioxo-piperazin-1-yl)-acetic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0.5 h / 20 °C / Inert atmosphere
1.2: 3 h / 20 °C / Inert atmosphere
2.1: trifluoroacetic acid / dichloromethane / 1.5 h / 20 °C
View Scheme
bromoacetic acid tert-butyl ester
5292-43-3

bromoacetic acid tert-butyl ester

1-ethyl-2,3-dioxo-piperazine
59702-31-7

1-ethyl-2,3-dioxo-piperazine

tert-butyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate

tert-butyl 2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetate

Conditions
ConditionsYield
Stage #1: 1-ethyl-2,3-dioxo-piperazine With sodium hydride In N,N-dimethyl-formamide; mineral oil at 20℃; for 0.5h; Inert atmosphere;
Stage #2: bromoacetic acid tert-butyl ester In N,N-dimethyl-formamide; mineral oil at 20℃; for 3h; Inert atmosphere;		940 mg
1-ethyl-2,3-dioxo-piperazine
59702-31-7

1-ethyl-2,3-dioxo-piperazine

piperacillin
61477-96-1, 64131-97-1

piperacillin

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: dichloromethane / 0.5 h / 5 °C
2.1: 0.1 h / 8 °C / 1500.15 Torr / Inert atmosphere
3.1: dichloromethane
3.2: 0.67 h / 3 °C
4.1: water / 0.67 h / 6 - 9 °C / Large scale
View Scheme
1-ethyl-2,3-dioxo-piperazine
59702-31-7

1-ethyl-2,3-dioxo-piperazine

C26H35N5O7SSi

C26H35N5O7SSi

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: dichloromethane / 0.5 h / 5 °C
2.1: 0.1 h / 8 °C / 1500.15 Torr / Inert atmosphere
3.1: dichloromethane
3.2: 0.67 h / 3 °C
View Scheme
1-ethyl-2,3-dioxo-piperazine
59702-31-7

1-ethyl-2,3-dioxo-piperazine

C10H17ClN2O3Si

C10H17ClN2O3Si

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: dichloromethane / 0.5 h / 5 °C
2: 0.1 h / 8 °C / 1500.15 Torr / Inert atmosphere
View Scheme
chloro-trimethyl-silane
75-77-4

chloro-trimethyl-silane

1-ethyl-2,3-dioxo-piperazine
59702-31-7

1-ethyl-2,3-dioxo-piperazine

C9H18N2O2Si

C9H18N2O2Si

Conditions
ConditionsYield
In dichloromethane at 5℃; for 0.5h;
2-tert-butoxycarbonylamino-succinic acid 1-benzyl ester
30925-18-9

2-tert-butoxycarbonylamino-succinic acid 1-benzyl ester

1-ethyl-2,3-dioxo-piperazine
59702-31-7

1-ethyl-2,3-dioxo-piperazine

benzyl (S)-2-((tert-butoxycarbonyl)amino)-4-(ethyl-2,3-dioxopiperazin-1-yl)-4-oxobutanoate

benzyl (S)-2-((tert-butoxycarbonyl)amino)-4-(ethyl-2,3-dioxopiperazin-1-yl)-4-oxobutanoate

Conditions
ConditionsYield
Stage #1: 2-tert-butoxycarbonylamino-succinic acid 1-benzyl ester With triethylamine; HATU In dichloromethane at 20℃; for 0.5h;
Stage #2: 1-ethyl-2,3-dioxo-piperazine In dichloromethane at 20℃; for 1h;		5.64 g
2-tert-butoxycarbonylamino-succinic acid 1-benzyl ester
30925-18-9

2-tert-butoxycarbonylamino-succinic acid 1-benzyl ester

1-ethyl-2,3-dioxo-piperazine
59702-31-7

1-ethyl-2,3-dioxo-piperazine

(S)-2-((tert-butoxycarbonyl)amino)-4-(4-ethyl-2,3-dioxopiperazin-1-yl)-4-oxobutanoic acid

(S)-2-((tert-butoxycarbonyl)amino)-4-(4-ethyl-2,3-dioxopiperazin-1-yl)-4-oxobutanoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: HATU; triethylamine / dichloromethane / 0.5 h / 20 °C
1.2: 1 h / 20 °C
2.1: hydrogen; palladium 10% on activated carbon / ethyl acetate / 18 h / 20 °C
View Scheme
1-ethyl-2,3-dioxo-piperazine
59702-31-7

1-ethyl-2,3-dioxo-piperazine

C15H12(2)H5N3O5

C15H12(2)H5N3O5

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: triethylamine; chloro-trimethyl-silane / dichloromethane / 1 h / 0 - 20 °C / Inert atmosphere; Schlenk technique
1.2: -30 °C / Inert atmosphere; Schlenk technique
2.1: triethylamine; chloro-trimethyl-silane / dichloromethane / 2 h / 0 - 20 °C / Inert atmosphere; Schlenk technique
2.2: 1.5 h / -40 - 0 °C / Inert atmosphere; Schlenk technique
View Scheme
1-ethyl-2,3-dioxo-piperazine
59702-31-7

1-ethyl-2,3-dioxo-piperazine

C30H28(2)H5N5O7S

C30H28(2)H5N5O7S

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: triethylamine; chloro-trimethyl-silane / dichloromethane / 1 h / 0 - 20 °C / Inert atmosphere; Schlenk technique
1.2: -30 °C / Inert atmosphere; Schlenk technique
2.1: triethylamine; chloro-trimethyl-silane / dichloromethane / 2 h / 0 - 20 °C / Inert atmosphere; Schlenk technique
2.2: 1.5 h / -40 - 0 °C / Inert atmosphere; Schlenk technique
3.1: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 0.08 h / 0 °C / Inert atmosphere; Schlenk technique
3.2: 3 h / 0 - 20 °C / Inert atmosphere; Schlenk technique
View Scheme
1-ethyl-2,3-dioxo-piperazine
59702-31-7

1-ethyl-2,3-dioxo-piperazine

A

C34H39(2)H5N6O7S

C34H39(2)H5N6O7S

B

C34H39(2)H5N6O7S

C34H39(2)H5N6O7S

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: triethylamine; chloro-trimethyl-silane / dichloromethane / 1 h / 0 - 20 °C / Inert atmosphere; Schlenk technique
1.2: -30 °C / Inert atmosphere; Schlenk technique
2.1: triethylamine; chloro-trimethyl-silane / dichloromethane / 2 h / 0 - 20 °C / Inert atmosphere; Schlenk technique
2.2: 1.5 h / -40 - 0 °C / Inert atmosphere; Schlenk technique
3.1: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 0.08 h / 0 °C / Inert atmosphere; Schlenk technique
3.2: 3 h / 0 - 20 °C / Inert atmosphere; Schlenk technique
4.1: acetonitrile / 2 h / 20 °C / Inert atmosphere; Schlenk technique
View Scheme
1-ethyl-2,3-dioxo-piperazine
59702-31-7

1-ethyl-2,3-dioxo-piperazine

piperacillin-D5

piperacillin-D5

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: triethylamine; chloro-trimethyl-silane / dichloromethane / 1 h / 0 - 20 °C / Inert atmosphere; Schlenk technique
1.2: -30 °C / Inert atmosphere; Schlenk technique
2.1: triethylamine; chloro-trimethyl-silane / dichloromethane / 2 h / 0 - 20 °C / Inert atmosphere; Schlenk technique
2.2: 1.5 h / -40 - 0 °C / Inert atmosphere; Schlenk technique
3.1: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 0.08 h / 0 °C / Inert atmosphere; Schlenk technique
3.2: 3 h / 0 - 20 °C / Inert atmosphere; Schlenk technique
4.1: palladium on activated carbon; hydrogen / tetrahydrofuran; water / 1 h / 20 °C / 760.05 Torr / Schlenk technique
View Scheme
1-ethyl-2,3-dioxo-piperazine
59702-31-7

1-ethyl-2,3-dioxo-piperazine

A

C27H33(2)H5N6O7S

C27H33(2)H5N6O7S

B

C27H33(2)H5N6O7S

C27H33(2)H5N6O7S

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: triethylamine; chloro-trimethyl-silane / dichloromethane / 1 h / 0 - 20 °C / Inert atmosphere; Schlenk technique
1.2: -30 °C / Inert atmosphere; Schlenk technique
2.1: triethylamine; chloro-trimethyl-silane / dichloromethane / 2 h / 0 - 20 °C / Inert atmosphere; Schlenk technique
2.2: 1.5 h / -40 - 0 °C / Inert atmosphere; Schlenk technique
3.1: N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 0.08 h / 0 °C / Inert atmosphere; Schlenk technique
3.2: 3 h / 0 - 20 °C / Inert atmosphere; Schlenk technique
4.1: acetonitrile / 2 h / 20 °C / Inert atmosphere; Schlenk technique
5.1: palladium on activated carbon; hydrogen / tetrahydrofuran; water / 1 h / 20 °C / 760.05 Torr / Schlenk technique
View Scheme

N-Ethyl-2,3-dioxopiperazine Specification

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.

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View