1-acetyl isatin
Structural formula
| Business number | 05UK |
|---|---|
| Molecular formula | C10H7NO3 |
| Molecular weight | 189.17 |
| label |
N-acetyl isatin, 1-acetyl-2,3-indolequinone, N-acetyl isatin, 1-Acetyl-1h-indole-3-dione, 1-Acetyl-indole-2,3-dione, aromatic compounds |
Numbering system
CAS number:574-17-4
MDL number:MFCD00158542
EINECS number:209-368-9
RTECS number:NL7873800
BRN number:113959
PubChem ID:None
Physical property data
1. Physical property data
1. Characteristics: yellow crystal
2. Melting point (℃):144
Toxicological data
None
Ecological data
None
Molecular structure data
5. Molecular property data: 1. Molar refractive index: 46.84 2. Molar volume (m3/mol）：133.8 3. isotonic specific volume (90.2K):374.4 4. Surface Tension (dyne/cm):61.2 5. Polarizability（10-24cm3):18.57
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 54.4
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 311
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
1. Basic properties
Yellow crystal. Melting point144℃ , insoluble in water, soluble in alcohol, acetone.Storage method
None
Synthesis method
2. Brief description of production method
Heat isatin and acetic anhydride under stirring to reflux4h, then cool to room temperature, then cool to 10℃, filter out the crystals, wash with ether, and dry, that is GETN-Acetyl isatin.Purpose
3. Purpose
Used in organic synthesis.