imidazole-4,5-dicarboxylic acid
structural formula
| business number | 05ty |
|---|---|
| molecular formula | c65h4n2o4 |
| molecular weight | 156.1 |
| label |
4,5-imidazoledicarboxylic acid, 4,5-dicarboxyimidazole, imidazole-4,5-dicarboxylic acid, medicine |
numbering system
cas number:570-22-9
mdl number:mfcd00005200
einecs number:209-327-5
rtecs number:ni4760000
brn number:147774
pubchem number:24880377
physical property data
1. physical property data
1. characteristics: white crystalline powder
2. span>melting point (℃)：280℃ (decomposed into imidazole and carbon dioxide)
3. span>solubility:soluble in ammonia or alkali solution, insoluble in water, ethanol, ether.
toxicological data
none
ecological data
none
molecular structure data
5. molecular property data:
1. molar refractive index: 32.63
2. molar volume (m3/mol）：86.0
3. isotonic specific volume (90.2k):285.2
4. surface tension (dyne/cm):120.8
5. polarizability(10-24cm3): 12.93
compute chemical data
1. reference value for calculation of hydrophobic parameters (xlogp): -0.2
2. number of hydrogen bond donors: 3
3. number of hydrogen bond acceptors: 5
4. number of rotatable chemical bonds: 2
5. number of tautomers: 3
6. topological molecule polar surface area 103
7. number of heavy atoms: 11
8. surface charge: 0
9. complexity: 193
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
none
storage method
none
synthesis method
1. production method brief description:
obtained from o-phenylenediamine through cyclization and ring opening. add o-phenylenediamine to formic acid
, stir and heat, and keep 2h at 95-98℃. cool n to 50-60℃,
adjust ph=10 with 10% sodium hydroxide solution, bring it n to room temperature, and wait
filter, wash with water and dry to obtain benzimidazole. while stirring, add benzimid
put azole into concentrated acid, raise the temperature to 100℃, slowly add hydrogen peroxide dropwise,
after the addition, stir the reaction at 140-150℃ for 1h, and then cool n to 40 span>℃, add
dilute with water, precipitate crystals, filter, wash with water, and dry to obtain 4,5-carboxylic acid
chiimidazole.
purpose
2. use: used in the production of imidazole.
