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.