1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one

C15H20FNO3

CAS116256-11-2
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
116256-11-2
EC Number
411-500-7
UN Number
3077
Index Number
613-188-00-X
PubChem CID
11065870

Physical-chemical properties

Molecular Formula
C15H20FNO3
Molar Mass
281.32 g/mol
IUPAC Name
1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one

Chemical Identifiers

InChI
InChI=1S/C15H20FNO3/c1-19-15-11-17(9-7-14(15)18)8-2-10-20-13-5-3-12(16)4-6-13/h3-6,15H,2,7-11H2,1H3
InChI Key
HEVIJEFDFFKZPG-UHFFFAOYSA-N

Overview

1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one (CAS 116256-11-2) is a fluorinated piperidine derivative with methoxy substitution and phenoxypropyl chain functionality. This specialized organic compound belongs to the piperidine ketone family, characterized by its unique molecular structure featuring a fluorophenoxy group connected via a propyl linker to a methoxypiperidin-4-one core. With the molecular formula C15H20FNO3 and a molecular weight of 281.32 g/mol, this substance exhibits distinctive chemical properties due to the presence of both fluorine and methoxy functional groups. The compound is classified under EC number 411-500-7 and requires careful handling protocols due to its classification as Acute Tox. 4, Eye Dam. 1, Skin Sens. 1, and Aquatic Chronic 2. The fluorophenoxy moiety provides enhanced stability and specific binding characteristics, while the piperidine ring system contributes to the compound's biological activity profile. Safety considerations are paramount when working with this material, as indicated by the Danger signal word and associated GHS pictograms (GHS07, GHS05, GHS09). The substance falls under ADR Class 9 for transport regulations, requiring appropriate packaging and documentation for shipment. Primary industrial applications include pharmaceutical intermediate synthesis, where its structural features make it valuable for drug development programs. The compound also finds use in specialty chemical manufacturing and research applications requiring fluorinated heterocycles. Similar to other nitrogen-containing heterocycles like 2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetonitrile;hydrobromide, this piperidine derivative serves as a building block in medicinal chemistry. OYSI maintains technical-grade inventory of 1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one with comprehensive documentation and regulatory support for European distribution.

Safety & Classification

Danger
Classification:

Acute Tox. 4 *; Eye Dam. 1; Skin Sens. 1; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H318

Causes serious eye damage.

H317

May cause an allergic skin reaction.

H411

Toxic to aquatic life with long lasting effects.

Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).

First Aid Measures

Skin Contact

Irritant

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

Eye Contact

Harmful

Measures if substance gets into the eyes

First Aid Actions

  • +P305IF IN EYES:
  • +P351Rinse cautiously with water for several minutes.
  • +P338Remove contact lenses, if present and easy to do. Continue rinsing.
  • +P313Get medical advice/attention.

Related hazard statements:

Ingestion

Harmful

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

Related hazard statements:

General Measures

Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)

First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.

Transport (ADR)

UN Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name1-(3-(4-Fluorphenoxy)propyl)-3-methoxy-4-piperidinon
Marine PollutantNo

Frequently Asked Questions

What is 1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one?

1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one is an organic chemical compound with the molecular formula C15H20FNO3 and CAS number 116256-11-2. This piperidine derivative has a molecular weight of 281.32 g/mol and contains fluorine, nitrogen, and oxygen functional groups. It is classified as a hazardous substance with multiple safety concerns including acute toxicity, eye damage potential, skin sensitization properties, and aquatic toxicity.

What are the physicochemical properties of 1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one?

1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one exhibits properties typical of organic compounds containing fluorinated aromatic rings and piperidine structures. The presence of the fluorophenoxy group influences its polarity and potential solubility characteristics. The methoxy and ketone functional groups contribute to its chemical reactivity. Specific physical properties such as melting point, boiling point, and exact solubility data would require detailed analytical characterization for precise determination.

What is 1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one used for?

1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one is primarily used as an intermediate in pharmaceutical and fine chemical synthesis. Its piperidine structure makes it valuable in medicinal chemistry applications, particularly in the development of pharmaceutical compounds. The fluorophenoxy moiety provides specific binding properties that are useful in drug discovery research. Industrial applications may include its use as a building block for more complex organic molecules in specialized chemical manufacturing processes.

How to handle 1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one safely?

1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one requires careful handling due to its classification as Acute Tox. 4, Eye Dam. 1, and Skin Sens. 1. Essential personal protective equipment includes chemical-resistant gloves, safety goggles or face shield, and appropriate respiratory protection. Work in well-ventilated areas or under fume hoods to minimize exposure. Avoid skin and eye contact, and prevent inhalation of vapors or dust. Ensure emergency shower and eyewash facilities are readily accessible.

How to store 1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one correctly?

1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one should be stored in tightly sealed, chemically compatible containers in a cool, dry, well-ventilated area away from incompatible materials. Keep containers away from sources of ignition, heat, and direct sunlight. Store separately from strong oxidizing agents, acids, and bases to prevent unwanted reactions. Ensure storage areas have appropriate containment measures and are accessible only to trained personnel. Regular inspection of containers for integrity is recommended.

What to do in case of contact with 1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one?

Immediate action is required upon contact with 1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one due to its eye damage and skin sensitization potential. For skin contact, immediately wash with plenty of water for at least 15 minutes and remove contaminated clothing. For eye contact, rinse immediately with water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting and seek immediate medical attention. Always consult emergency services for serious exposures.

How to dispose of 1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one appropriately?

1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one must be disposed of as hazardous waste in accordance with local, national, and EU regulations due to its toxicity classification and environmental concerns. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Never dispose of this substance down drains, in regular waste, or release into the environment. Ensure proper documentation and waste tracking throughout the disposal process. Consult local environmental authorities for specific disposal requirements in your region.

How to transport 1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one?

1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation purposes. This classification requires specific packaging, labeling, and documentation according to international dangerous goods regulations. Packages must display appropriate hazard labels and proper shipping names. Transportation vehicles must carry emergency response information and appropriate safety equipment. Only trained personnel familiar with dangerous goods regulations should handle the shipping and transport of this substance.

Is 1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one subject to specific regulations?

1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one is subject to EU REACH regulation requiring registration for manufacturing or importing quantities above one tonne annually. The substance is not currently listed as an SVHC (Substance of Very High Concern). CLP regulation governs its classification and labeling requirements, mandating GHS pictograms GHS05, GHS07, and GHS09 with 'Danger' signal word. National chemical regulations may impose additional requirements for handling, storage, and use in specific applications.

Where to buy 1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one in Europe?

1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-one is available through OYSI, a European distributor specializing in technical chemicals and pharmaceutical intermediates. OYSI provides reliable supply chain solutions for laboratories, research institutions, and industrial customers across Europe. As an established chemical distributor, OYSI ensures proper handling, documentation, and regulatory compliance for hazardous substances. Contact OYSI directly for availability, technical specifications, safety documentation, and delivery options for your specific requirements.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.