2-hydroxy-4-methylquinoline

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: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.

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