Basic information Safety Supplier Related

1-Isopropyl-4-piperidone

Basic information Safety Supplier Related

1-Isopropyl-4-piperidone Basic information

Product Name:
1-Isopropyl-4-piperidone
Synonyms:
  • 1-(1'-METHYLETHYL)-4-PIPERIDONE
  • 1-ISOPROPYL-4-PIPERIDONE
  • 1-ISOPROPYL-PIPERIDIN-4-ONE
  • TIMTEC-BB SBB005846
  • 1-Isopropyl-4-piperidinone
  • 4-Piperidinone, 1-(1-methylethyl)-
  • 4-Piperidinone,1-(1-methylethyl)-
  • 4-Piperidone, 1-isopropyl-
CAS:
5355-68-0
MF:
C8H15NO
MW:
141.21
EINECS:
226-339-6
Product Categories:
  • Piperidine
  • Heterocyclic Compounds
Mol File:
5355-68-0.mol
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1-Isopropyl-4-piperidone Chemical Properties

Melting point:
105-105.5 °C
Boiling point:
100-101 °C (27 mmHg)
Density 
0.95
refractive index 
1.465-1.467
Flash point:
100-101°C/27mm
storage temp. 
under inert gas (nitrogen or Argon) at 2-8°C
form 
clear liquid
pka
8.18±0.20(Predicted)
color 
Colorless to Brown
BRN 
107857
InChI
InChI=1S/C8H15NO/c1-7(2)9-5-3-8(10)4-6-9/h7H,3-6H2,1-2H3
InChIKey
CCDBCHAQIXKJCG-UHFFFAOYSA-N
SMILES
N1(C(C)C)CCC(=O)CC1
CAS DataBase Reference
5355-68-0(CAS DataBase Reference)
NIST Chemistry Reference
N-isopropyl-4-piperidone(5355-68-0)
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Safety Information

Hazard Codes 
C,Xi
Risk Statements 
34-36/37/38
Safety Statements 
45-36/37/39-26-36-37
HS Code 
29333990

MSDS

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1-Isopropyl-4-piperidone Usage And Synthesis

Chemical Properties

CLEAR YELLOW TO BROWN LIQUID

Uses

Used as a pharmaceutical intermediate.

Synthesis

Preparation of 1-Isopropyl-4-piperidone: Potassium carbonate (4.2 g, 31.1 mmol) was added into a solution of isopropylamine (2.1 mL, 3.3 mmol) in ethanol (10 mL) and the resulting mixture was heated at 75 °C. A solution of 1,1-dimethyl-4-oxopiperidinium iodide (4.0 g, 15.5 mmol) in water (5 mL) was added over a period of 30 minutes. The reaction mixture was stirred 1 hour at 75 °C, and then 12 hours at room temperature. The reaction mixture was concentrated under reduced pressure. The residue was taken up with water (25 mL) and extracted with dichloromethane (25 mL). The organic layer was dried (Na2SO4) and concentrated under vacuum. a colourless oil (1.5 g, 69 %). 1H NMR (DMSO-d6, 400 MHz): δ 2.89-2.83 (m, 1 H), 2.67 (t, J=5.9 Hz, 4H), 2.29 (t, J=5.9 Hz, 4H), 0.98 (d, J=6.5 Hz, 6H). LCMS (Method C): Mass found (M+ 142.2), Rt (min): 0.63, Area (%): 99.4 (Max. Chrom.).

1-Isopropyl-4-piperidone Preparation Products And Raw materials

Preparation Products

Raw materials

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