2-Phenylethylamine 2-Phenylethylamine
Structural formula
| Business number | 01D4 |
|---|---|
| Molecular formula | C8H11N |
| Molecular weight | 121.18 |
| label |
β-aminoethylbenzene, 1-Amino-2-phenylethane, β-Aminoethylbenzene, Phenethylamine, 1-Amino-2-phenylethane |
Numbering system
CAS number:64-04-0
MDL number:MFCD00008184
EINECS number:200-574-4
RTECS number:SG8750000
BRN number:507488
PubChem ID:None
Physical property data
1. Properties: Colorless liquid, highly alkaline, capable of absorbing carbon dioxide from the air, with a fishy odor.
2. Density (g/mL, 20/4℃): 0.962
3. Relative vapor density (g/mL, air=1): 4.18
4. Melting point (ºC): -60
5. Boiling point (ºC, normal pressure): 197-200
6. Boiling point (ºC, 0.93kPa): 70- 71
7. Refractive index (n20D): 1.533
8. Flash Point (ºC): 90
9. Specific rotation (º): Uncertain
10. Autoignition point or ignition temperature (ºC): Uncertain
11. Vapor pressure (kPa, 25ºC): Uncertain
12. Saturated vapor pressure (kPa, 60ºC): Uncertain
13. Heat of combustion (KJ/mol) : Uncertain
14. Critical temperature (ºC): Uncertain
15. Critical pressure (KPa): Uncertain
16. Oil and water (octanol /water) distribution coefficient: Uncertain
17. Explosion upper limit (%, V/V): Uncertain
18. Explosion lower limit (%, V/V) : Uncertain
19. Solubility: Easily soluble in alcohol, ether, and soluble in water
Toxicological data
Acute toxicity: Rat oral LDLo: 800 mg/kg; Rat intraperitoneal LDLo: 100 mg/kg; Rat subcutaneous injection LDLo: 450 ug/kg; Mouse intraperitoneal LD50: 175 mg/kg; Mouse subcutaneous injection LD50 : 320 ug/kg; mouse intravenous LD50: 100 mg/kg.
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 39.33
2. Molar volume (cm3/mol): 125.9
3. Isotonic specific volume (90.2K ): 312.9
4. Surface tension (dyne/cm): 38.1
5. Polarizability (10-24cm3): 15.59
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. Mutual Number of isomers: None
6. Topological molecule polar surface area 26
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 65
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. The number of uncertain stereocenters of atoms: 0
13. The number of determined stereocenters of chemical bonds: 0
14. The number of uncertain stereocenters of chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
1. Exists in oriental tobacco leaves and smoke.
Storage method
This product should be sealed and stored in a cool, dry place away from light.
Synthesis method
1. Prepared by pressurized catalytic hydrogenation of phenylacetonitrile. Pour liquid ammonia into phenylacetonitrile, cool and absorb it, mix it with Raney nickel, add it to the autoclave, remove the air, and pass hydrogen. React at about 10MPa at 80-120°C for 3 hours until hydrogen is no longer absorbed, cool and release the pressure, and filter. Distill the filtrate under reduced pressure and collect the 90-93°C (2kPa) fraction, which is 2-phenylethylamine. The yield is 90%. To prepare 2-phenylethylamine hydrochloride (156-28-5), take the above filtrate, adjust the pH to 3-4 with hydrochloric acid below 60°C, cool to 5°C, let stand for 8 hours, and filter to obtain . Hydrochloride is a flaky crystal. Melting point 223-224℃ (217℃).
2. Tobacco: OR, 18, 27.
Purpose
Phenylethylamine is an important pharmaceutical and dye intermediate. It is mainly used in medicine to synthesize benzylamine penicillin and hypoglycemic drugs.
Intermediate of the drug Jiangtangling, also used in other organic synthesis. Products such as glipizide can be produced using β-phenylethylamine.
