3a,6a-dimethylperhydroimidazo[4,5-d]imidazole-2,5-dione - Names and Identifiers
Name | 3a,6a-dimethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione
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Synonyms | 3a,6a-Dimethylglycouril 3α,6α-Dimethylglycoluril 3a,6a-dimethylperhydroimidazo[4,5-d]imidazole-2,5-dione 3a,6a-Dimethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione 3a,6a-dimethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione 3a,6a-dimethyl-1,3,4,6-tetrahydroimidazo[4,5-d]imidazole-2,5-dione Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione,tetrahydro-3a,6a-dimethyl- Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-3a,6a-dimethyl-
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CAS | 28115-25-5
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InChI | InChI=1/C6H10N4O2/c1-5-6(2,9-3(11)7-5)10-4(12)8-5/h1-2H3,(H2,7,9,11)(H2,8,10,12) |
3a,6a-dimethylperhydroimidazo[4,5-d]imidazole-2,5-dione - Physico-chemical Properties
Molecular Formula | C6H10N4O2
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Molar Mass | 170.17 |
Density | 1.313±0.06 g/cm3(Predicted) |
Melting Point | 345 °C(Solv: water (7732-18-5)) |
Boling Point | 602.6±55.0 °C(Predicted) |
Flash Point | 295°C |
Vapor Presure | 1.78E-14mmHg at 25°C |
pKa | 13.02±0.60(Predicted) |
Refractive Index | 1.519 |
3a,6a-dimethylperhydroimidazo[4,5-d]imidazole-2,5-dione - Introduction
3a, [4,5-d]imidazole-2,5(1H,3H)-dione is an organic compound with the molecular formula C6H9N3O2 and the structural formula CH3C(NH)C(N(CH3))= O, which is a white crystalline solid.
The following is an introduction to some properties, uses, preparation methods and safety information of imidazole-2, [4,5-d] 3a, 5(1H,3H)-dione:
Nature:
1. Appearance: white crystalline solid.
2. Melting point: About 140-144 ° C.
3. Solubility: in water and some organic solvents (such as alcohols, ethers) have a certain solubility.
4. Stability: relatively stable at room temperature, not easy to decompose.
Use:
1. Chemical reagent: 3a, [4,5-d]imidazole-2,5(1H,3H)-dione can be used as an organic synthesis intermediate.
2. Drug research: It may have certain research and development potential in the field of drugs.
Method:
3a, [4,5-d]imidazole-2,5(1H,3H)-dione can be prepared by a series of organic synthesis reactions. The specific preparation method is as follows:
First, by synthesizing an intermediate glycoluril (Guanidine):
Cyanamide (Cyanamide) and Ammonia solution (Ammonia solution) are reacted under appropriate conditions to generate glycoluril.
The glycoluril is then subjected to a methylation reaction:
br> The generated glycoluril and methanol (or methylating reagent) are reacted under appropriate conditions to obtain 3a, phosphonium [4,5-d]imidazole-2,5(1H,3H)-dione.
Safety Information:
At present, there are few studies on the toxicity and safety of 3a, [4,5-d]imidazole-2,5(1H,3H)-dione, therefore, in use should pay attention to the following matters:
1. Avoid contact with skin, eyes and respiratory tract, such as accidental contact, should immediately rinse with plenty of water.
2. Use should wear appropriate personal protective equipment, such as protective gloves, goggles, etc.
3. In storage and operation, should avoid contact with flammable, oxidant and other substances, to prevent dangerous accidents.
4. If inhaled or ingested, seek medical attention immediately.
When used in laboratory or industrial production, relevant safe operating procedures and good laboratory practices should be followed. Before formal use, its toxicity and chemical properties should be fully evaluated and tested.
Last Update:2024-04-09 21:01:54