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.