6-Methoxy-8-nitroquinoline 6-Methoxy-8-nitroquinoline

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:85-81-4

MDL number:MFCD00006802

EINECS number:201-633-7

RTECS number:VC0365000

BRN number:None

PubChem number:24852410

Physical property data

1. Character: yellow needle crystal

2. Density (g/mL ,25/4℃): Undetermined

3. Relative vapor density (g/mL,Air=1): Undetermined

4. Melting point (ºC):159-160℃

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC,5.2 kPa): Undetermined

7. Refractive Index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific optical rotation (º ): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa ,60ºC): Undetermined

3. isotonic specific volume (90.2K):417.4

4. Surface Tension (dyne/cm):55.9

5. Polarizability（10^-24cm³):21.96

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: 4

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 67.9

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 241

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

Sealed at4℃Save in a dry place and away from light.

Synthesis method

By4-methoxy-2-Nitroaniline is obtained by cyclization reaction. Add glycerol into the reaction pot and heat at 70℃Add sulfuric acid below and then put in4-Methoxy-2-Nitroaniline. at75-80℃After insulating, add an aqueous solution of potassium iodide and iodine, and raise the temperature to 125℃, and keep warm until the reaction reaches the end point. Dilute with ice water and incubate at 35℃The following is neutralized with sodium hydroxide solution pH The value is3.5, filter, wash to pHValue is 5, got6-Methoxy-8-nitroquinoline. The yield is 90%.

Purpose

This product can be used as an intermediate for the antimalarial drug primaquine phosphate.

y: Arial; mso-hansi-font-family: Arial; mso-bidi-font-family: Arial”>Add sulfuric acid below and then put in4-Methoxy-2-Nitroaniline .At75-80℃After insulating, add an aqueous solution of potassium iodide and iodine, and raise the temperature to 125℃, incubate until the reaction reaches the end point. Dilute with ice water, in35℃Neutralize with sodium hydroxide solution belowpH The value is3.5, filter, wash to pHValue is56-Methoxy-8-nitroquinoline. The yield is 90%.

Purpose

This product can be used as an intermediate for the antimalarial drug primaquine phosphate.