Cas no 1978-61-6 (4-(4-Fluorophenyl)-1,2,3,6-tetrahydropyridine Hydrochloride)

4-(4-Fluorophenyl)-1,2,3,6-tetrahydropyridine Hydrochloride is a fluorinated tetrahydropyridine derivative used as an intermediate in pharmaceutical synthesis. Its key structural features include a fluorophenyl group and a partially saturated pyridine ring, which contribute to its utility in medicinal chemistry applications. The hydrochloride salt form enhances stability and solubility, facilitating handling and storage. This compound is particularly valuable in the development of CNS-targeting agents due to its ability to modulate neurotransmitter systems. Its well-defined synthetic route ensures high purity and reproducibility, making it a reliable building block for research and drug discovery. The fluorophenyl moiety further allows for structural diversification in lead optimization studies.
4-(4-Fluorophenyl)-1,2,3,6-tetrahydropyridine Hydrochloride structure
1978-61-6 structure
Product Name:4-(4-Fluorophenyl)-1,2,3,6-tetrahydropyridine Hydrochloride
CAS No:1978-61-6
MF:C11H13ClFN
MW:213.679025411606
MDL:MFCD00035278
CID:141303
PubChem ID:197747
Update Time:2025-10-21

4-(4-Fluorophenyl)-1,2,3,6-tetrahydropyridine Hydrochloride Chemical and Physical Properties

Names and Identifiers

    • Pyridine,4-(4-fluorophenyl)-1,2,3,6-tetrahydro-, hydrochloride (1:1)
    • 4-(4-Fluorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride
    • (3RS,4RS)-4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride
    • 4-(4-fluorophenyl)-1,2,3,6-tetrahydropiridine hydrochloride
    • 4-(p-Fluorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride
    • 4-fluorophenyl-1,2,3,6-tetrahydropyridine hydrochloride
    • Pyridine,1,2,3,6-tetrahydro-4-(p-fluorophenyl)-,hydrochloride
    • 4-(4-FLUOROPHENYL)-1,2,3,6-TETRAHYDROPYRIDINE HYDROCHLORID
    • 1,2,3,6-tetrahydro-4-(p-fluorophenyl)-pyridinhydrochloride
    • 4-(4-Fluorophenyl)-1,2,5,6-tetrahydropyridine Hydrochloride
    • Pyridine, 4-(4-fluorophenyl)-1,2,3,6-tetrahydro-, hydrochloride
    • 1-Fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzene hydrochloride
    • 4-(p-fluorophenyl)-1,2,3,6-tetrahydropyridinehydrochloride
    • 4-(4-Fluorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride, 99+%
    • 4-(4-Fluorophenyl)-1,2,3,6-tetrahydropyridine hydrochloride, 98+%
    • NSC 89742
    • Pyridine, 4-(4-fluorophenyl)-1,2,3,6-tetrahydro-, hydrochloride (1:1)
    • C80045
    • TS-03052
    • Pyridine, 1,2,3,6-tetrahydro-4-(p-fluorophenyl)-, hydrochloride
    • MFCD00035278
    • Pyridine,2,3,6-tetrahydro-4-(p-fluorophenyl)-, hydrochloride
    • 4-(4-fluoro-phenyl)-1,2,3,6-tetrahydro-pyridine hydrochloride
    • FT-0616629
    • J-513509
    • EINECS 217-836-9
    • Pyridine,2,3,6-tetrahydro-, hydrochloride
    • NSC89742
    • SCHEMBL730625
    • AKOS015958960
    • 1978-61-6
    • NSC-89742
    • 4-(4-Fluorophenyl)-1,2,3,6-tetrahydropyridine HCl
    • CTTBTYWBXXWBMU-UHFFFAOYSA-N
    • DTXSID50173475
    • 4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridinehydrochloride
    • 4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
    • 4-(4-fluoro-phenyl)-1,2,3,6-tetrahydropyridine hydrochloride
    • NS00026432
    • 4-(p-Fluorophenyl)-1,3,6-tetrahydropyridine hydrochloride
    • EN300-15327
    • CS-0129010
    • 4-(4-fluorophenyl)-1,2,3,6-tetrahydro-pyridine hydrochloride
    • 4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine,hydrochloride
    • 4-(4-Fluorophenyl)-1,2,5,6-tetrahydropyridine Hydrochloride; 4-(p-Fluorophenyl)-1,2,3,6-tetrahydropyridine Hydrochloride;
    • 4-(4-Fluorophenyl)-1,2,3,6-tetrahydropyridine Hydrochloride
    • MDL: MFCD00035278
    • Inchi: 1S/C11H12FN.ClH/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;/h1-5,13H,6-8H2;1H
    • InChI Key: CTTBTYWBXXWBMU-UHFFFAOYSA-N
    • SMILES: Cl.FC1C=CC(=CC=1)C1=CCNCC1

Computed Properties

  • Exact Mass: 213.07200
  • Monoisotopic Mass: 213.0720553g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 192
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 12?2

Experimental Properties

  • Color/Form: Light yellow or beige crystalline powder
  • Melting Point: 169-173℃
  • PSA: 12.03000
  • LogP: 3.33320
  • Solubility: Not determined

4-(4-Fluorophenyl)-1,2,3,6-tetrahydropyridine Hydrochloride Security Information

  • Hazard Category Code: 40-23/24/25
  • Safety Instruction: S28-S36/37/39-S38-S45
  • Hazardous Material Identification: T
  • Safety Term:S28A;S36/37/39;S38;S45
  • Risk Phrases:R23/24/25; R40

4-(4-Fluorophenyl)-1,2,3,6-tetrahydropyridine Hydrochloride 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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Additional information on 4-(4-Fluorophenyl)-1,2,3,6-tetrahydropyridine Hydrochloride

4-(4-Fluorophenyl)-1,2,3,6-Tetrahydropyridine Hydrochloride: A Comprehensive Overview

4-(4-Fluorophenyl)-1,2,3,6-Tetrahydropyridine Hydrochloride, also known by its CAS number 1978-61-6, is a chemical compound that has garnered significant attention in the fields of organic chemistry and pharmacology. This compound is a hydrochloride salt of 4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridine, which belongs to the class of tetrahydropyridines. These compounds are well-known for their structural versatility and potential applications in drug design and synthesis.

The molecular structure of 4-(4-Fluorophenyl)-1,2,3,6-Tetrahydropyridine Hydrochloride comprises a tetrahydropyridine ring system with a fluorophenyl substituent at the 4-position. The hydrochloride form indicates that it exists as a salt with hydrochloric acid. This compound is often used as an intermediate in the synthesis of various pharmaceutical agents due to its ability to undergo further functionalization while maintaining stability.

Recent studies have highlighted the potential of tetrahydropyridines like 4-(4-Fluorophenyl)-1,2,3,6-Tetrahydropyridine Hydrochloride in the development of novel therapeutic agents. For instance, researchers have explored its role in the creation of anti-inflammatory drugs and neuroprotective agents. The presence of the fluorophenyl group introduces unique electronic and steric properties that enhance the compound's reactivity and selectivity in various chemical reactions.

In terms of synthesis, 4-(4-Fluorophenyl)-1,2,3,6-Tetrahydropyridine Hydrochloride can be prepared through a variety of methods. One common approach involves the alkylation or acylation of tetrahydropyidine derivatives followed by protonation to form the hydrochloride salt. The choice of synthetic pathway depends on the desired purity and scalability of the process.

The physical and chemical properties of this compound are crucial for its application in pharmaceutical research. It has a melting point of approximately 205°C and is soluble in water and common organic solvents such as ethanol and dichloromethane. These characteristics make it suitable for use in both laboratory settings and large-scale manufacturing processes.

From an environmental perspective, understanding the biodegradation and toxicity profiles of 4-(4-Fluorophenyl)-1,2,3,6-Tetrahydropyridine Hydrochloride is essential for ensuring safe handling and disposal practices. Recent studies have indicated that this compound exhibits moderate biodegradability under aerobic conditions but may persist in certain environmental compartments if not properly managed.

In conclusion, 4-(4-Fluorophenyl)-1,2,3,6-Tetrahydropyridine Hydrochloride, with its unique structural features and versatile applications,
continues to be a focal point for researchers across multiple disciplines. Its role as an intermediate in drug synthesis and its potential for developing innovative therapeutic agents underscore its importance in modern chemistry.

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