Julolidine

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:479-59-4

MDL number:MFCD00006917

EINECS number:207-535-0

RTECS number:None

BRN number:139925

PubChem ID:None

Physical property data

1. Character:White crystal

2. Density (g/ m³,25/4℃): Undetermined

3. Relative vapor density (g/cm³,AIR=1): Undetermined

4. Melting point (ºC):34-36

5. Boiling point (ºC,Normal pressure):170

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

7. Refractive Index: Undetermined

8. Flash Point (ºC):230

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

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water Alcohol/Logarithmic value of partition coefficient for water: undetermined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: Undetermined

Toxicological data

None

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1、 Molar refractive index: 54.31

2、 Molar volume（m³/mol)：156.8

3、 Isotonic specific volume (90.2K):407.7

4、 Surface tension（dyne/cm）：45.7

5、 Polarizability(10^-24cm³）：21.53

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.8

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 3.2

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 172

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

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Save in a sealed manner and place it in a ventilated and dry place to avoid contact with other oxides.

Synthesis method

Heat 66.5g (0.5mol) tetrahydroquinoline and 400g 1-bromo-3-chloropropane in an oil bath at 150-160℃ for 20h. After cooling, add 50ml concentrated hydrochloric acid and 500ml water. , perform steam distillation to remove excess 1-bromo-3-chloropropane. The residue was made alkaline with 40% sodium hydroxide and extracted with ether. The ether extract was washed with water, dried over granular sodium hydroxide, the ether was evaporated, and distilled under reduced pressure to collect the 105-110°C (0.133kPa) fraction to obtain 67-70g julonidine.

Purpose

Used in organic synthesis.