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Name |
Mebicar |
EINECS | N/A |
CAS No. | 10095-06-4 | Density | 1.237 g/cm3 |
PSA | 47.10000 | LogP | -0.61540 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H14N4O2 | Boiling Point | 362.2 °C at 760 mmHg |
Molecular Weight | 198.225 | Flash Point | 171.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Glycoluril,1,3,4,6-tetramethyl- (7CI);Tetrahydro-1,3,4,6-tetramethylimidazo[4,5-d]imidazole-2,5(1H,3H)-dione;Mebikar;2,4,6,8-Tetramethyl-2,4,6,8-tetraazobizykl(3,3,0)oktandion-3,7;2,4,6,8-Tetramethyl-2,4,6,8-tetraazobicyclo(3.3.0)octane-3,7-dione;1,3,4,6-Tetramethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione; |
Article Data | 8 |
Conditions | Yield |
---|---|
With 1-hydroxyethylene-(1,1-diphosphonic acid) In water at 80℃; for 1h; Green chemistry; | 62% |
With 1-hydroxyethylene-(1,1-diphosphonic acid) In water at 80℃; for 2h; Green chemistry; | 62% |
methyl iodide
mebicar
Conditions | Yield |
---|---|
With silver perchlorate at 20℃; for 2h; | 53% |
Conditions | Yield |
---|---|
With hydrogenchloride; water |
1,3,4-trimethyl-tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
mebicar
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 93 percent / (Me3Si)2NH / CH2Cl2 / 1 h / 20 °C 2: 53 percent / AgClO4 / 2 h / 20 °C View Scheme |
mebicar
Conditions | Yield |
---|---|
With trifluorormethanesulfonic acid In dichloromethane at 70℃; for 1h; | 97% |
mebicar
Conditions | Yield |
---|---|
In acetone Sealed tube; | 89% |
Conditions | Yield |
---|---|
In acetone | 84% |
mebicar
Conditions | Yield |
---|---|
In acetone for 0.0833333 - 0.166667h; | 83% |
mebicar
Conditions | Yield |
---|---|
With phosgene In dichloromethane at 50 - 60℃; for 2h; | 67% |
mebicar
bis(7-oxo-2,4,6,8-tetramethyl-2,4,6,8-tetraazabicyclo<3.3.0>octane-3-ylium) ether bis(trifluoromethanesulfonate)
Conditions | Yield |
---|---|
With trifluoromethylsulfonic anhydride In chloroform for 1h; Heating; | 59% |
The Mebicar with CAS registry number of 10095-06-4 is also known as Tetrahydro-1,3,4,6-tetramethylimidazo[4,5-d]imidazole-2,5(1H,3H)-dione. The IUPAC name is 1,3,4,6-Tetramethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione. In addition, the formula is C8H14N4O2 and the molecular weight is 198.22.
Physical properties about Mebicar are: (1)ACD/LogP: 0.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.41; (4)ACD/LogD (pH 7.4): 0.41; (5)ACD/BCF (pH 5.5): 1.22; (6)ACD/BCF (pH 7.4): 1.22; (7)ACD/KOC (pH 5.5): 40.03; (8)ACD/KOC (pH 7.4): 40.03; (9)#H bond acceptors: 6; (10)Index of Refraction: 1.534; (11)Molar Refractivity: 49.85 cm3; (12)Molar Volume: 160.1 cm3; (13)Surface Tension: 40 dyne/cm; (14)Density: 1.237 g/cm3; (15)Flash Point: 171.9 °C; (16)Enthalpy of Vaporization: 60.81 kJ/mol; (17)Boiling Point: 362.2 °C at 760 mmHg; (18)Vapour Pressure: 1.96E-05 mmHg at 25 °C.
Uses of Mebicar: it is used to produce 3,7-dihydroxy-2,4,6,8-tetramethyl-2,4,6,8-tetraazabicyclo[3.3.0]octane-3,7-diylium bis(trifluoromethanesulfonate). The reaction occurs with reagent triflic acid and solvent CH2Cl2 at the temperature of 70 °C for 1 hour. The yield is about 97%.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CN1C2C(N(C1=O)C)N(C(=O)N2C)C
2. InChI: InChI=1S/C8H14N4O2/c1-9-5-6(11(3)7(9)13)12(4)8(14)10(5)2/h5-6H,1-4H3
3. InChIKey: XIUUSFJTJXFNGH-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 3800mg/kg (3800mg/kg) | German Offenlegungsschrift Patent Document. Vol. #3306128, | |
rat | LD50 | intraperitoneal | 3450mg/kg (3450mg/kg) | German Offenlegungsschrift Patent Document. Vol. #3306128, |