4-Amino-1-(diethylamino)pentane 4-Amino-1-(diethylamino)pentane

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:140-80-7

MDL number:MFCD00008091

EINECS number:205-435-1

RTECS number:XE1900000

BRN number:None

PubChem number:24890746

Physical property data

1. Physical property data:

1. Properties: Strongly alkaline liquid

2. Density (g/mL, 20/20℃): 0.819

3. Refraction Rate (nD20): 1.4403

4. Flash point (℃): 68

5. Boiling point (ºC): 142-144℃, 101 ℃ (4.9kPa)

6. Solubility: soluble in water, ethanol and ether, with ammonia odor.

Toxicological data

2. Toxicological data:

1. Acute toxicity: mouse intravenous LDLo: 180 mg/kg

Ecological data

3. Ecological data:

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

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 50.95

2. Molar volume (cm³/mol): 188.4

3 , Isotonic specific volume (90.2K): 442.3

4. Surface tension (dyne/cm): 30.3

5. Polarizability (10^-24 cm³): 20.20

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.2

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: none

6. Topological molecule polar surface area 29.3

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 79.6

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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

1. Stable under normal temperature and pressure.

2.This product is strongly alkaline, and its vapor�Skin and respiratory tract irritation, long-term exposure may cause chronic poisoning. Operators should wear protective equipment, production equipment should be sealed to avoid direct contact with the human body, and good ventilation should be maintained at the production site.
　

Storage method

Store sealed in a dry and cool place. This product is packed in iron drums and placed in a dry and ventilated place.

Synthesis method

Dissolve 5-diethylamino-2-pentanone in absolute ethanol, then add 5-diethylamino-2-pentanone, activated nickel, and absolute ethanol into the reaction tank, stir, and pass in water below 30°C Liquid ammonia. Stop stirring, replace the air with nitrogen three times, and then replace the nitrogen with hydrogen three times. Pass hydrogen to 0.15MPa, pressurize to internal pressure of 0.59MPa, and internal temperature of 95°C, then pass hydrogen again to maintain the temperature at 0.7-0.79MPa until hydrogen is no longer absorbed. Cool, release the hydrogen, and replace it with nitrogen. The catalyst is filtered off, and ethanol is recovered from the filtrate under normal pressure, followed by distillation under reduced pressure to collect the 94-130°C (1.33kPa) fraction to obtain 2-amino-5-diethylaminopentane. Yield 88% Product specifications: colorless transparent liquid, content ≥95%. Raw material consumption quota: 5-diethylamino-2-pentanone (87%) 1016kg/t, liquid ammonia (industrial product) 132kg/t, nickel aluminum alloy (industrial product) 4kg/t, absolute ethanol (industrial product) 364kg/t, hydrogen (99%) 395m3.

Purpose

1. Intermediates for the manufacture of anti-malarial drug chloroquine phosphate.

2. Pharmaceutical intermediates. Used in the manufacture of mipaline hydrochloride and antimalarial drug chloroquine phosphate.