Structural formula
| Business number | 069Q |
|---|---|
| Molecular formula | C10H9NO |
| Molecular weight | 159.18 |
| label |
4-Methyl-2(1H)-quinolone, 4-methyl-2-hydroxyquinoline, 4-methylquinolinone, 4-Methyl-2-quinolinol, 4-Methyl-2-quinolinol, 4-Methylcarbostyril |
Numbering system
CAS number:607-66-9
MDL number:MFCD00006745
EINECS number:210-139-0
RTECS number:None
BRN number:118331
PubChem number:24895639
Physical property data
Physical property data:
1. Character: needle-shaped crystal
2. Melting point245℃
3. Boiling point>360, 270℃（2.27kPa)
4. Solubility: Soluble in ethanol and hot water, Slightly soluble in cold water, ether, chloroform and benzene
Toxicological data
None
Ecological data
3. Ecological data:
1. Other harmful effects: This substance may be harmful to the environment and should be harmful to water bodies. Give special attention.
Molecular structure data
5. Molecular property data: 1、 Molar refractive index:48.89 2、 Molar volume (m3/mol):131.4 3、 Isotonic specific volume (90.2K):357.9 4、 Surface tension (dyne/cm):54.9 5, Polarizability (10-24cm3 ):19.38
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.2
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 2
6. Topological molecule polar surface area 29.1
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 232
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.NoThe number of stereocenters of certain chemical bonds: 0
15. The number of covalent bond units: 1
Properties and stability
1. Properties: Acicular crystal.
Storage method
Storage:
Seal the secret container and store it in a sealed main container in a cool place Dry position.
Synthesis method
2. Preparation method: obtained by cyclization of acetoacetanilide in the presence of sulfuric acid. Preheat concentrated sulfuric acid to 75℃, add acetoacetanilide in batches, and control the temperature to 70-75℃. After the addition is complete, raise the temperature to 95℃, response15minthen cool to65℃, pour the mixture into the water. After cooling, filter, wash the product with water and methanol, dry it with 95%The finished product is obtained by recrystallizing ethanol.
Purpose
3. Uses: Used as organic synthesis intermediates.
