5-ethyl-5-phenyl-dihydro-4,6(1h,5h)-pyrimidinedione 5-ethyldiodro-5-phenyl-4,6(1h,5h)-pyrimidinedione

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:125-33-7

mdl number:mfcd00038662

einecs number:204-737-0

rtecs number:uv9100000

brn number:none

pubchem number:24277732

physical property data

1. properties: white crystalline powder. odorless, slightly bitter taste.

2. melting point: 281-282℃

3. solubility: slightly soluble in alcohol, almost insoluble in water, acetone or benzene

4. water-soluble properties: <0.1 g/100 ml (19℃)

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 59.08

2. molar volume (cm³/mol): 191.7

3. isotonic specific volume (90.2k): 477.6

4. surface tension (dyne/cm): 38.5

5. polarizability (10-24cm3): 23.42

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 2

5. number of tautomers: 3

6. topological molecule polar surface area 58.2

7. number of heavy atoms: 16

8. surface charge: 0

9. complexity: 279

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

basic properties: the anti-epileptic effect is similar to that of phenobarbital, but more selective than phenobarbital; the intensity of effect is not as strong as that of phenytoin, but the combination of the two has a synergistic effect.

storage method

storage: sealed and stored.

synthesis method

brief description of the production method: add ethyl acetate to sodium ethoxide, reflux for half an hour, cool to room temperature, add diethyl ethylphenylmalonate and thiourea, and flow for 9 hours. cool to 0℃, add ethanol, and drop hydrochloric acid at 0-5℃ until ph=3-3.5. add zinc powder, raise the temperature to reflux, slowly add hydrochloric acid to keep the solution with 2-3% acid content, complete the addition, and keep warm for 3 hours. filter while hot, and recover ethanol from the filtrate. coldto 20°c, add water, filter, and wash the filter cake to obtain the finished product.

purpose

usage: used for grand mal epilepsy and psychomotor seizures.