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CAS No.: | 5918-93-4 |
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Name: | 1,3-Dihydroimidazol-2-one |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C3H4N2O |
Molecular Weight: | 84.0776 |
Synonyms: | 4-Imidazolin-2-one(6CI,7CI,8CI);1,3-Dihydro-2H-imidazol-2-one;1,3-Dihydroimidazol-2-one;2-Hydroxyimidazole;ENT 27439;Imidazol-2-ol;NSC 111046;SD 8591;Shell SD8591; |
EINECS: | 1312995-182-4 |
Density: | 1.191 g/cm3 |
Melting Point: | 240-243 °C |
Boiling Point: | 364.5 °C at 760 mmHg |
Flash Point: | 174.3 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 48.65000 |
LogP: | -0.29700 |
Conditions | Yield |
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Stage #1: 2,4-imidazolidinedione With diisobutylaluminium hydride In tetrahydrofuran at 0℃; for 7.41667h; Inert atmosphere; Stage #2: With water In methanol for 13.5h; Reflux; Inert atmosphere; | 93% |
Stage #1: 2,4-imidazolidinedione With diisobutylaluminium hydride In tetrahydrofuran; toluene at 0℃; for 2.5h; Inert atmosphere; Stage #2: With water In tetrahydrofuran; methanol; toluene at 100℃; for 18h; Inert atmosphere; | 83% |
Stage #1: 2,4-imidazolidinedione With diisobutylaluminium hydride In tetrahydrofuran; toluene at 0℃; for 2h; Stage #2: With methanol Heating; Further stages.; | 62% |
With diisobutylaluminium hydride In tetrahydrofuran; toluene at 0℃; for 1.5h; | 1.4 g |
2-oxo-4-imidazoline-4-carboxylic acid
1,3-dihydroimidazolone
Conditions | Yield |
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With potassium carbonate for 4h; Heating; | 75% |
at 220℃; under 2 Torr; | |
at 230 - 240℃; under 5 Torr; | |
With copper at 230 - 300℃; under 0.3 Torr; |
α-ureidoacetaldehyde diethyl acetal
1,3-dihydroimidazolone
Conditions | Yield |
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With sulfuric acid at 25℃; for 48h; | 53% |
With sulfuric acid In water at 55℃; for 1h; | 44% |
With sulfuric acid In water at 20 - 55℃; for 3h; Inert atmosphere; | 44% |
With sulfuric acid |
1-Benzyloxy-1,3-dihydro-imidazol-2-one
1,3-dihydroimidazolone
Conditions | Yield |
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With sodium hydroxide In methanol at 20℃; for 3h; | 51% |
Conditions | Yield |
---|---|
With hydrogenchloride; sodium amalgam Anschliessend mit Kaliumcyanat bei pH 7 behandeln; |
1-vinyloxycarbonylimidazol-2-one
1,3-dihydroimidazolone
Conditions | Yield |
---|---|
for 1h; Heating; |
1,3-dihydroimidazolone
Conditions | Yield |
---|---|
With water In tetrahydrofuran at 20℃; for 0.166667h; Inert atmosphere; |
1,3-dihydroimidazolone
acetic anhydride
1,3-diacetyl-2,3-dihydro-1H-imidazol-2-one
Conditions | Yield |
---|---|
for 1.5h; Reflux; | 99.5% |
for 1.5h; Reflux; | 95% |
Heating; | 80% |
Conditions | Yield |
---|---|
With aluminium trichloride In nitrobenzene at 60 - 65℃; | 93% |
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The 1,3-Dihydroimidazol-2-one with CAS registry number of 5918-93-4 is also known as 2H-imidazol-2-one, 1,3-dihydro-. The IUPAC name and product name are the same. It belongs to product categories of API Intermediates. Its classification codes are Agricultural Chemical; Insecticide; Mutation data. In addition, the formula is C3H4N2O and the molecular weight is 84.08.
Physical properties about 1,3-Dihydroimidazol-2-one are: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.9; (4)ACD/LogD (pH 7.4): 0.9; (5)ACD/BCF (pH 5.5): 2.86; (6)ACD/BCF (pH 7.4): 2.86; (7)ACD/KOC (pH 5.5): 73.88; (8)ACD/KOC (pH 7.4): 73.88; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.55Å2; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 20.26 cm3; (15)Molar Volume: 70.5 cm3; (16)Polarizability: 8.03×10-24cm3; (17)Surface Tension: 33.4 dyne/cm; (18)Density: 1.191 g/cm3; (19)Flash Point: 174.3 °C; (20)Enthalpy of Vaporization: 63.47 kJ/mol; (21)Boiling Point: 364.5 °C at 760 mmHg; (22)Vapour Pressure: 7.97E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: O=C1N\C=C/N1
2. InChI: InChI=1/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)
3. InChIKey: AICIYIDUYNFPRY-UHFFFAOYAW
4. Std. InChI: InChI=1S/C3H4N2O/c6-3-4-1-2-5-3/h1-2H,(H2,4,5,6)
5. Std. InChIKey: AICIYIDUYNFPRY-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 915mg/kg (915mg/kg) | Pesticide Manual. Vol. 1, Pg. 257, 1968. |