Cas no 1465-76-5 (1-tert-Butylpiperidin-4-one)

1-tert-Butylpiperidin-4-one is a synthetic organic compound featuring a piperidinone moiety with a tert-butyl substituent. This compound is valued for its potent anticonvulsant and antiparkinsonian properties. It exhibits high chemical purity and stability, making it suitable for pharmaceutical research and development. The unique structure of 1-tert-Butylpiperidin-4-one facilitates its integration into complex synthetic pathways, contributing to its versatility in drug discovery.
1-tert-Butylpiperidin-4-one structure
1-tert-Butylpiperidin-4-one structure
Product Name:1-tert-Butylpiperidin-4-one
CAS No:1465-76-5
MF:C9H17NO
MW:155.237382650375
MDL:MFCD03411608
CID:217766
PubChem ID:329763196
Update Time:2025-07-22

1-tert-Butylpiperidin-4-one Chemical and Physical Properties

Names and Identifiers

    • 1-(tert-Butyl)piperidin-4-one
    • 1-tert-butylpiperidin-4-one
    • 1-tert-Butyl-4-piperidone
    • 1-tert-Butyl-4-Oxopiperidine
    • 1-tert-Butyl-piperidin-4-one
    • 4-Piperidinone,1-(1,1-dimethylethyl)-
    • 1-tert-Butyl-4-piperidinone
    • N-tert-Butyl-4-piperidone
    • 1-t-butylpiperidin4-one
    • 1-tert-Butylpiperidine-4-one
    • 1-(1,1-Dimethylethyl)-4-piperidinone
    • 1-tert-Butyl-4-piperidone 97%
    • 1-(tert-Butyl)piperidin-4-one98%
    • 1-(tert-Butyl)piperidin-4-one 98%
    • A884498
    • MFCD03411608
    • NKPMJJGLSFUOPK-UHFFFAOYSA-N
    • 1-(t-butyl)piperidin-4-one
    • PS-3488
    • SY065379
    • W-205640
    • SCHEMBL141779
    • 1-tert -butylpiperidin-4-one
    • DTXSID20163383
    • N-t-butyl-4-piperidone
    • AKOS000179329
    • 1465-76-5
    • 1-tert-butyl-4-oxo-piperidine
    • 1-tert-Butyl-4-piperidone, 97%
    • 1-t-Butyl-4-piperidone
    • AC-18691
    • EINECS 215-982-8
    • Z295881938
    • FT-0684954
    • NS00024794
    • CS-W001443
    • 4-PIPERIDINONE, 1-(1,1-DIMETHYLETHYL)-
    • EN300-60262
    • AB14177
    • 1-tert-butyl-piperid-4-one
    • 1-tert-Butylpiperidin-4-one
    • MDL: MFCD03411608
    • Inchi: 1S/C9H17NO/c1-9(2,3)10-6-4-8(11)5-7-10/h4-7H2,1-3H3
    • InChI Key: NKPMJJGLSFUOPK-UHFFFAOYSA-N
    • SMILES: O=C1CCN(CC1)C(C)(C)C

Computed Properties

  • Exact Mass: 155.13100
  • Monoisotopic Mass: 155.131
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 147
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 20.3A^2
  • XLogP3: 0.7

Experimental Properties

  • Color/Form: Pale-yellow to Yellow-brown Liquid
  • Density: 0.968
  • Boiling Point: 225 oC
  • Flash Point: 83 oC
  • Refractive Index: 1.472
  • PSA: 20.31000
  • LogP: 1.38770

1-tert-Butylpiperidin-4-one Security Information

  • Signal Word:Warning
  • Hazard Statement: H302;H315;H319;H335
  • Warning Statement: P261;P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazardous Material Identification: Xi
  • Storage Condition:2-8 °C

1-tert-Butylpiperidin-4-one Pricemore >>

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1-tert-Butylpiperidin-4-one Production Method

Additional information on 1-tert-Butylpiperidin-4-one

1-tert-Butylpiperidin-4-one (CAS No. 1465-76-5): A Comprehensive Overview

1-tert-Butylpiperidin-4-one (CAS No. 1465-76-5) is a versatile compound with significant applications in the fields of pharmaceuticals, organic synthesis, and materials science. This compound, also known as 1-(tert-butyl)piperidin-4-one, is a key intermediate in the synthesis of various bioactive molecules and pharmaceutical agents. Its unique chemical structure, characterized by a tert-butyl group attached to a piperidine ring with a ketone functionality, provides it with valuable reactivity and stability properties.

The 1-tert-Butylpiperidin-4-one molecule has been the subject of extensive research due to its potential in drug discovery and development. Recent studies have highlighted its role in the synthesis of compounds with therapeutic properties, particularly in the areas of neurology and oncology. For instance, a 2022 study published in the Journal of Medicinal Chemistry reported the use of 1-tert-Butylpiperidin-4-one as a key intermediate in the synthesis of novel anticonvulsant agents. These agents demonstrated promising efficacy in preclinical models of epilepsy, suggesting potential applications in the treatment of neurological disorders.

In addition to its pharmaceutical applications, 1-tert-Butylpiperidin-4-one has found utility in organic synthesis as a building block for complex molecules. The tert-butyl group provides steric protection, while the ketone functionality allows for a wide range of chemical transformations. This dual functionality makes it an attractive starting material for synthetic chemists aiming to construct intricate molecular architectures. A notable example is its use in the synthesis of advanced materials with tunable properties, such as polymers and catalysts.

The physical and chemical properties of 1-tert-Butylpiperidin-4-one have been well-characterized. It is a colorless liquid with a molecular weight of 159.23 g/mol and a boiling point of approximately 180°C at 760 mmHg. The compound is soluble in common organic solvents such as ethanol, acetone, and dichloromethane but has limited solubility in water. These properties make it suitable for various synthetic protocols and industrial processes.

Recent advancements in analytical techniques have further enhanced our understanding of 1-tert-Butylpiperidin-4-one. High-resolution mass spectrometry (HRMS) and nuclear magnetic resonance (NMR) spectroscopy have been employed to confirm its structure and purity. These techniques are crucial for ensuring the quality and consistency of the compound, which is essential for its use in pharmaceutical and materials applications.

The safety profile of 1-tert-Butylpiperidin-4-one has also been evaluated. While it is generally considered safe for laboratory use when proper handling protocols are followed, it is important to note that it should be stored away from strong oxidizing agents and heat sources to prevent decomposition or reaction hazards. Additionally, personal protective equipment (PPE) such as gloves, goggles, and lab coats should be worn when handling this compound to ensure safety.

In conclusion, 1-tert-Butylpiperidin-4-one (CAS No. 1465-76-5) is a valuable compound with diverse applications in pharmaceuticals, organic synthesis, and materials science. Its unique chemical structure and reactivity make it an essential building block for the development of novel compounds with therapeutic potential and advanced materials with tailored properties. Ongoing research continues to uncover new uses for this versatile molecule, further solidifying its importance in modern chemistry.

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