Arundoline
Structural formula
| Business number | 01Y3 |
|---|---|
| Molecular formula | C11H14N2 |
| Molecular weight | 174.24 |
| label |
gram amine, 3-Dimethylaminomethylindole, Indol-3-yl-N,N-dimethylmethylamine, Gramine, 3-(Dimethylaminomethyl)indole, 3-(dimethylaminomethyl)indole, 3-(Dimethylaminomethyl)indole |
Numbering system
CAS number:87-52-5
MDL number:MFCD00005629
EINECS number:201-749-8
RTECS number:NL7525000
BRN number:140521
PubChem number:24895037
Physical property data
1. Character:Leaf or needle crystal 2. Density (g/mL,25/4℃): The future is determined 3. Relative vapor density (g/mL,AIR=1): The future is determined 4. Melting point (ºC)：138-139℃ 5. Boiling point (ºC,Normal pressure): to be determined in the future 6. Boiling point (ºC,5.2kPa): The future is determined 7. Refractive index: to be determined in the future 8. Flash Point (ºC）：167°C 9. Specific optical rotation (º): The future is determined 10. Autoignition point or ignition temperature (ºC): The future is determined 11. Vapor pressure (kPa,25ºC4. Surface tension (dyne/cm):46.0 5. Polarizability（10-24cm3):22.37
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 19
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 168
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 yet
Storage method
Keep sealed.
Synthesis method
By indole and Obtained from the condensation of formaldehyde and dimethylamine. Chill dimethylamine to -5℃, add to glacial acetic acid. at temperatures not exceeding5℃ under the conditions of adding formaldehyde and indole, at 30 -40℃Reaction8h 5℃ , use40%Sodium hydroxide adjustmentpHequal to1, cool out arunthylamine crystallization. After filtering, washing, and draining, the crude product is heated and dissolved in acetone, cooled, crystallized, filtered, and dried to obtain the finished product.
Purpose
This product is synthesized Intermediates of tryptophan.
0pt”>8h，Lengzhi5, use40%Sodium hydroxide adjustmentpHEqual1, cooling Crystallization of strobiline. After filtering, washing, and draining, the crude product is heated and dissolved in acetone, cooled, crystallized, filtered, and dried to obtain the finished product.
Purpose
This product is synthesized Intermediates of tryptophan.