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Home > Encyclopedia > 1-Isopropyl-4-piperidinone

1-Isopropyl-4-piperidinone

1-Isopropyl-4-piperidinone structure

1-Isopropyl-4-piperidinone 

structure
  • CAS No:

    5355-68-0

  • Formula:

    C8H15NO

  • Chemical Name:

    1-Isopropyl-4-piperidinone

  • Synonyms:

    4-Piperidinone,1-(1-methylethyl)-;4-Piperidone,1-isopropyl-;1-(1-Methylethyl)-4-piperidinone;1-Isopropyl-4-piperidinone;1-Isopropyl-4-piperidone;N-Isopropyl-4-piperidinone;N-Isopropyl-4-piperidone;1-(Propan-2-yl)piperidin-4-one;1-Propan-2-ylpiperidin-4-one

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

CLEAR YELLOW TO BROWN LIQUID

1-Isopropyl-4-piperidinone Basic Attributes

141.21

141.21

226-339-6

DTXSID50201762

2933399090

Characteristics

20.3

0.5

colourless or slightly yellow liquid

0.9495 g/cm3 @ Temp: 254 °C

105-105.5 °C

103 °C @ Press: 25 Torr

77.0±10.0 °C

1.468

Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.

Safety Information

R34

S45-S36/37/39-S26

C:Corrosive;

Stable under normal temperatures and pressures.

P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, P501

H315

|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-Isopropyl-4-piperidinone Use and Manufacturing

Step 2: Preparation of 1-isopropyl-piperidin-4-one 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 (NaStep 2: Preparation of 1-isopropyl-piperidi ePotassium 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 (NaThe specific operations of step 6 include: 1 mmol of compound 5, 3mmol isopropyl iodide, 0.1 mmol of cesium carbonate, 20 mL of DMF was added to the reactor, Reaction at 50 ° C for 6 h, After the reaction solution is cooled to room temperature, filter, Adjust the pH to 8, Add the right amount of water, After washing the water-soluble material in three portions, Dry over anhydrous sodium sulfate, filter, The filtrate was spun dry using a rotary evaporator.The obtained crude product was separated by silica gel column chromatography to give Compound 6 as a colorless liquid.

Computed Properties

Molecular Weight:141.21
XLogP3:0.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:141.115364102
Monoisotopic Mass:141.115364102
Topological Polar Surface Area:20.3
Heavy Atom Count:10
Complexity:121
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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