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| CAS No.: | 5391-39-9 |
|---|---|
| Name: | 1-Acetyl-2-imidazolidinone |
| Article Data: | 20 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H8N2O2 |
| Molecular Weight: | 128.131 |
| Synonyms: | N-Acetyl-2-imidazolidinone; |
| EINECS: | 226-388-3 |
| Density: | 1.237 g/cm3 |
| Melting Point: | 173-175 °C |
| Solubility: | soluble in methanol |
| Appearance: | White to off-white powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | R38 |
| PSA: | 49.41000 |
| LogP: | -0.17520 |
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| Conditions | Yield |
|---|---|
| With water for 0.5h; Heating; | 88% |
| at 150℃; for 1h; | 64.1% |
| for 0.5h; Reflux; | 63% |
| Conditions | Yield |
|---|---|
| Stage #1: imidazolidone With potassium carbonate In toluene at 20℃; for 0.5h; Stage #2: 1-acetyl-1H-benzotriazole In toluene at 80℃; for 2h; | 87% |
- 120-93-4
imidazolidone
- 88333-03-3, 10340-91-7
Benzyl isocyanide
- 75-36-5
acetyl chloride
A
- 5391-39-9
1-acetylimidazolidin-2-one
| Conditions | Yield |
|---|---|
| In acetonitrile at 20℃; for 9h; | A n/a B 77% |
| Conditions | Yield |
|---|---|
| In tetrahydrofuran | 52% |
| In tetrahydrofuran | 52% |
| In tetrahydrofuran | 52% |
| In tetrahydrofuran | 52% |
| Conditions | Yield |
|---|---|
| With cerium(IV) oxide In ethanol at 160℃; for 8h; | 9% |
| Conditions | Yield |
|---|---|
| With copper(l) iodide; potassium carbonate; N,N`-dimethylethylenediamine In tetrahydrofuran at 80℃; for 9h; Inert atmosphere; Schlenk technique; | 94.4% |
- 5391-39-9
1-acetylimidazolidin-2-one
- 32315-10-9
bis(trichloromethyl) carbonate
- 41730-71-6
1-chlorocarbonyl-2-oxo-3-methylcarbonyl-imidazolidine
| Conditions | Yield |
|---|---|
| In benzene at 55 - 60℃; for 3h; chloroformylation; | 93.8% |
- 5391-39-9
1-acetylimidazolidin-2-one
- 30536-19-7
4-amino-5-chloro-2,1,3-benzothiadiazole
| Conditions | Yield |
|---|---|
| With trichlorophosphate In acetone at 50 - 55℃; for 20h; Temperature; Solvent; | 93.6% |
| With thionyl chloride In toluene at 65℃; Reagent/catalyst; Solvent; | 67% |
- 5391-39-9
1-acetylimidazolidin-2-one
- 503-38-8
trichloromethyl chloroformate
- 41730-71-6
1-chlorocarbonyl-2-oxo-3-methylcarbonyl-imidazolidine
| Conditions | Yield |
|---|---|
| With pyridine In benzene at 50 - 55℃; for 2h; Addition; | 92% |
- 5391-39-9
1-acetylimidazolidin-2-one
- 30536-19-7
4-amino-5-chloro-2,1,3-benzothiadiazole
- 64461-82-1, 74113-36-3
tizanidine hydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: 1-acetylimidazolidin-2-one; 4-amino-5-chloro-2,1,3-benzothiadiazole With trichlorophosphate at 60 - 65℃; for 36h; Stage #2: With methanol for 4h; Reflux; Stage #3: With hydrogenchloride In ethanol at 20℃; for 1h; | 85% |
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Chemistry
Product Name: 1-Acetyl-2-imidazolidinone (CAS NO.5391-39-9)
Molecular Formula: C5H8N2O2
Molecular Weight: 128.13g/mol
Mol File: 5391-39-9.mol
EINECS: 226-388-3
Melting Point: 173-175°C
Density: 1.237 g/cm3
Index of Refraction: 1.492 Molar Refractivity: 30.08 cm3
Molar Volume: 103.5 cm3
Surface Tension: 43.2 dyne/cm
XLogP3-AA: -0.9
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of 1-Acetyl-2-imidazolidinone (CAS NO.5391-39-9):
IUPAC Name: 1-acetylimidazolidin-2-one
Canonical SMILES: CC(=O)N1CCNC1=O
InChI: InChI=1S/C5H8N2O2/c1-4(8)7-3-2-6-5(7)9/h2-3H2,1H3,(H,6,9)
InChIKey: JJWACYUTERPMBM-UHFFFAOYSA-N
Product Categories: Imidazol&Benzimidazole; (intermediate of moxonidine hcl)
Specification
1-Acetyl-2-imidazolidinone , its CAS NO. is 5391-39-9, the synonym is 1-Acetyl-2-imidazolidinone .