Cas no 72544-16-2 (1-(2-methylpropyl)piperidin-4-one)

1-(2-methylpropyl)piperidin-4-one structure
72544-16-2 structure
Product Name:1-(2-methylpropyl)piperidin-4-one
CAS No:72544-16-2
MF:C9H17NO
MW:155.237382650375
MDL:MFCD00190595
CID:59356
PubChem ID:24879310
Update Time:2025-07-23

1-(2-methylpropyl)piperidin-4-one Chemical and Physical Properties

Names and Identifiers

    • 1-Isobutylpiperidin-4-one
    • N-Isobutyl-4-piperidone
    • 1-(2-Methylpropyl)-4-piperidone
    • 1-Isobutyl-4-Piperidone
    • 1-(2-Methylpropyl)-4
    • 1-(2-methylpropyl)piperidin-4-one
    • 4-Piperidinone, 1-(2-methylpropyl)-
    • KMTASGXMTBUSSP-UHFFFAOYSA-N
    • 4-Piperidinone,1-(2-methylpropyl)-
    • TRA0015410
    • RP21964
    • VZ33323
    • ST241
    • XCA54416
    • EN300-54892
    • Rifabutin impurity A
    • DTXSID70222858
    • SB41108
    • MFCD00190595
    • 1-(2-methylpropyl)-4-Piperidinone; 1-(2-Methylpropyl)-4-piperidone; 1-(2-Methylpropyl)piperidin-4-one; 1-Isobutyl-4-piperidinone; 1-Isobutyl-4-piperidone; N-Isobutyl-4-piperidinone
    • SY002156
    • RIFABUTIN IMPURITY A [EP IMPURITY]
    • A9434
    • DS-2384
    • SCHEMBL1181641
    • Rifabutin impurity A, European Pharmacopoeia (EP) Reference Standard
    • AKOS000187708
    • 1-(2-METHYLPROPYL)-4-PIPERIDINONE
    • NS00037383
    • 1-(2-Methylpropyl)-4-piperidone, 97%
    • AMY6027
    • CS-W010924
    • 72544-16-2
    • N-ISOBUTYL-4-PIPERIDINONE
    • UNII-WL7MDR2ZN2
    • EINECS 276-712-2
    • WL7MDR2ZN2
    • FT-0672186
    • MDL: MFCD00190595
    • Inchi: 1S/C9H17NO/c1-8(2)7-10-5-3-9(11)4-6-10/h8H,3-7H2,1-2H3
    • InChI Key: KMTASGXMTBUSSP-UHFFFAOYSA-N
    • SMILES: O=C1CCN(CC1)CC(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: 2
  • Complexity: 133
  • 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: 20.3
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 1

Experimental Properties

  • Color/Form: Liquid
  • Density: 0.914?g/mL?at 25?°C(lit.)
  • Melting Point: 28°C (estimate)
  • Boiling Point: 220?°C(lit.)
  • Flash Point: Fahrenheit: 199.4 ° f < br / > Celsius: 93 ° C < br / >
  • Refractive Index: n20/D 1.456(lit.)
  • PSA: 20.31000
  • LogP: 1.24520
  • Solubility: Not determined

1-(2-methylpropyl)piperidin-4-one Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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1-(2-methylpropyl)piperidin-4-one Production Method

Additional information on 1-(2-methylpropyl)piperidin-4-one

Comprehensive Overview of 1-(2-methylpropyl)piperidin-4-one (CAS No. 72544-16-2): Properties, Applications, and Industry Insights

1-(2-methylpropyl)piperidin-4-one (CAS No. 72544-16-2) is a specialized organic compound belonging to the piperidine derivative family. This molecule features a ketone functional group at the 4-position of the piperidine ring, coupled with a 2-methylpropyl substituent at the nitrogen atom. Its unique structure makes it a valuable intermediate in pharmaceutical synthesis, agrochemical research, and material science. The compound's molecular formula is C9H17NO, with a molecular weight of 155.24 g/mol, offering balanced lipophilicity for diverse applications.

In recent years, the demand for piperidine derivatives like 1-(2-methylpropyl)piperidin-4-one has surged due to their role in developing central nervous system (CNS) therapeutics. Researchers frequently search for "piperidine-based drug candidates" or "nitrogen heterocycles in medicinal chemistry," reflecting industry interest. The compound's structural flexibility allows modifications at both the ketone and alkyl chain positions, enabling tailored physicochemical properties for target-specific applications.

The synthesis of CAS 72544-16-2 typically involves N-alkylation of piperidin-4-one with 2-methylpropyl halides, followed by purification via distillation or recrystallization. Analytical characterization employs GC-MS, NMR spectroscopy, and HPLC purity testing—techniques commonly queried by quality control professionals. Notably, the compound's boiling point (≈230°C) and solubility profile (moderate in organic solvents, low in water) make it suitable for reactions under non-aqueous conditions.

Environmental and regulatory considerations for 1-(2-methylpropyl)piperidin-4-one align with green chemistry principles. Many users search for "biodegradable heterocyclic compounds" or "sustainable synthetic intermediates," highlighting eco-conscious trends. The compound's low bioaccumulation potential and moderate biodegradability position it favorably compared to persistent halogenated analogs.

Industrial applications leverage this compound's hydrogenation reactivity to produce pharmaceutical building blocks. Patent analyses reveal its utility in creating dopamine receptor modulators and antiviral precursors—topics frequently explored in "drug discovery pipelines" searches. The 2-methylpropyl group enhances metabolic stability in final APIs, addressing common "drug metabolism challenges" queries.

From a commercial perspective, CAS 72544-16-2 suppliers emphasize batch-to-batch consistency (>98% purity) and scalable production capabilities. Procurement specialists often search for "reliable piperidine derivative suppliers" or "custom synthesis of nitrogen heterocycles," underscoring the need for dependable sources. Proper storage recommendations include argon atmosphere protection to prevent ketone oxidation—a key stability consideration.

Emerging research explores this compound's potential in advanced material science, particularly as a precursor for conductive polymers and coordination complexes. These applications respond to growing searches for "organic electronic materials" and "metal-organic frameworks (MOFs)." The tertiary amine moiety facilitates metal ion chelation, enabling innovative material designs.

Safety protocols for handling 1-(2-methylpropyl)piperidin-4-one follow standard laboratory best practices, with particular attention to ventilation due to its moderate volatility. This aligns with frequent queries about "safe handling of ketone derivatives" in occupational health forums. The compound's LD50 data (typically >500 mg/kg in rodents) supports its classification as moderate-risk under proper controls.

Future developments may exploit this compound's chiral center potential (when derived from optically active precursors) to meet rising demand for "enantioselective synthesis" applications. Its structural similarity to bioactive alkaloids continues driving innovation in natural product-inspired drug design—a hot topic in pharmaceutical R&D circles.

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