N-benzyl-N-ethyl m-toluidine
Structural formula
| Business number | 03BJ |
|---|---|
| Molecular formula | C16H19N |
| Molecular weight | 225.33 |
| label |
CH3C6H4N(CH2C6H5)C2H5, N-ethyl-N-(3-methylphenyl)benzylamine, N-ethyl-N-benzyl-m-methylaniline, aromatic compounds |
Numbering system
CAS number:119-94-8
MDL number:MFCD00025950
EINECS number:204-359-6
RTECS number:None
BRN number:None
PubChem number:24846580
Physical property data
1. Properties: light yellow oily liquid
2. Density (g/mL, 25℃): 0.770
3. Relative vapor density (g/mL, air = 1): Undetermined
4. Melting point (ºC): Undetermined 1
5. Boiling point (ºC, normal pressure): 161-162
6 . Boiling point (ºC, KPa): Undetermined
7. Refractive index: 1.5870
8. Flash point (ºC): 162
9. Specific rotation Degree (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, ºC): Undetermined
12. Saturated vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC) : Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 74.51
2. Molar volume (cm3/mol): 220.9
3. Isotonic specific volume (90.2K ): 558.8
4. Surface tension (dyne/cm): 40.9
5. Polarizability (10-24cm3): 29.53
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 4.3
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: none
6. Topological molecule polar surface area 3.2
7. Number of heavy atoms: 17
8. Surface charge: 0
9. Complexity: 208
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. Uncertain number of chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
None
Synthesis method
1. N-ethyl m-toluidine method In the reaction, the acid binding agents are sodium hydroxide aqueous solution and sodium carbonate. The ratio of N-ethyl m-toluidine to benzyl chloride is 1: (0.95~1.05) (molar ratio). The reaction temperature is successively raised at 40°C and 100°C to the end point, and then separated by reducing water. The oil layer The product is obtained by distillation under reduced pressure. From 1000kg N-ethyl m-toluidine, at least 1350kg N-ethyl-N-benzyl m-toluidine can be obtained.
2. Meta-toluidine method: After using ethyl chloride (or ethanol) as the alkylating agent to prepare N-ethyl meta-toluidine, the product is obtained in the same way as the previous method.
Purpose
Dye intermediates. Used to prepare triarylmethane series acid dyes, such as Acid Brilliant Blue G, C.I.Acid Blue 90, 91, 109 and W001 Discharge Blue GN, etc.