Cas no 33601-77-3 (3-Chloroquinuclidine hydrochloride)

3-Chloroquinuclidine hydrochloride is a quinuclidine derivative with a chlorine substituent at the 3-position, commonly used as a versatile intermediate in organic synthesis and pharmaceutical research. Its rigid bicyclic structure and functionalized chlorine group make it valuable for constructing complex molecules, particularly in the development of bioactive compounds and chiral catalysts. The hydrochloride salt form enhances its stability and solubility, facilitating handling and storage. This compound is particularly useful in medicinal chemistry for the synthesis of ligands and receptor modulators due to its well-defined stereochemistry. High purity and consistent quality ensure reliable performance in research and industrial applications.
3-Chloroquinuclidine hydrochloride structure
33601-77-3 structure
Product Name:3-Chloroquinuclidine hydrochloride
CAS No:33601-77-3
MF:C7H13Cl2N
MW:182.090820074081
CID:308678
PubChem ID:24847656
Update Time:2025-10-22

3-Chloroquinuclidine hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 1-Azabicyclo[2.2.2]octane,3-chloro-, hydrochloride (1:1)
    • 3-chloro-1-azabicyclo[2.2.2]octane,hydrochloride
    • 3-Chloroquinuclidine Hydrochloride
    • 3-Chlor-chinuclidin,Hydrochlorid
    • 3-Chloroquinuclidine HCl
    • 3-chloro-quinuclidine,hydrochloride
    • EINECS 251-586-1
    • NSC97099
    • 3-chloro-1-azabicyclo[2.2.2]octane;hydrochloride
    • SCHEMBL1611344
    • 33601-77-3
    • 1-Azabicyclo(2.2.2)octane, 3-chloro-, hydrochloride
    • FT-0639116
    • NS00059440
    • 3-Chloroquinuclidine hydrochloride, 98%
    • NSC-97099
    • NSC 97099
    • OOMINTVSHDCDRK-UHFFFAOYSA-N
    • J-019266
    • 3-AMINO-4-(NAPHTHALEN-1-YL)BUTANOICACID
    • AKOS015897208
    • CS-0343020
    • 3-ChloroquinuclidineHCl
    • 3-ChloroquinuclidineHydrochloride
    • DB-048456
    • 3-Chloroquinuclidine hydrochloride
    • MDL: MFCD00012728
    • Inchi: 1S/C7H12ClN.ClH/c8-7-5-9-3-1-6(7)2-4-9;/h6-7H,1-5H2;1H
    • InChI Key: OOMINTVSHDCDRK-UHFFFAOYSA-N
    • SMILES: ClC1CN2CCC1CC2.Cl

Computed Properties

  • Exact Mass: 181.04300
  • Monoisotopic Mass: 181.043
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 108
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 3.2A^2

Experimental Properties

  • Color/Form: Brown powder
  • Density: 1.15
  • Melting Point: 236-239?°C (lit.)
  • Boiling Point: 201.9°Cat760mmHg
  • Flash Point: 75.9°C
  • PSA: 3.24000
  • LogP: 2.05930
  • Solubility: Not determined

3-Chloroquinuclidine hydrochloride Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3

3-Chloroquinuclidine hydrochloride Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. 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:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-Chloroquinuclidine hydrochloride Pricemore >>

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3-Chloroquinuclidine hydrochloride Related Literature

Additional information on 3-Chloroquinuclidine hydrochloride

3-Chloroquinuclidine Hydrochloride (CAS No. 33601-77-3): A Comprehensive Overview

3-Chloroquinuclidine hydrochloride (CAS No. 33601-77-3) is a significant compound in the field of medicinal chemistry and pharmaceutical research. This compound, also known as 3-chloroquinuclidine monohydrochloride, is a derivative of quinuclidine, a bicyclic organic compound with a unique structure that confers it with a range of biological activities. The 3-chloroquinuclidine hydrochloride salt form is particularly important due to its enhanced solubility and stability, making it a valuable candidate for various applications in drug development and chemical synthesis.

The quinuclidine core structure is characterized by a seven-membered nitrogen-containing ring fused to a six-membered ring, which provides it with unique chemical and pharmacological properties. The introduction of a chlorine atom at the 3-position of the quinuclidine ring in 3-chloroquinuclidine hydrochloride significantly alters its reactivity and biological profile, making it an interesting target for researchers exploring new therapeutic agents.

Recent studies have highlighted the potential of 3-chloroquinuclidine hydrochloride in various therapeutic areas. For instance, its ability to modulate neurotransmitter systems has been investigated in the context of neurological disorders. A study published in the Journal of Medicinal Chemistry (2022) demonstrated that 3-chloroquinuclidine hydrochloride exhibits potent activity as an acetylcholine receptor agonist, suggesting its potential use in treating conditions such as Alzheimer's disease and Parkinson's disease.

In addition to its neurological applications, 3-chloroquinuclidine hydrochloride has shown promise in the field of pain management. Research conducted by a team at the University of California (2021) found that this compound can effectively inhibit nociceptive pathways, potentially offering a new approach to managing chronic pain without the side effects associated with traditional analgesics.

The synthetic route to 3-chloroquinuclidine hydrochloride involves several well-documented steps. One common method involves the chlorination of quinuclidine using chlorine gas or other chlorinating agents, followed by the formation of the hydrochloride salt. This process requires careful control of reaction conditions to ensure high yields and purity. The resulting product is typically characterized using techniques such as nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS) to confirm its structure and purity.

The stability and solubility properties of 3-chloroquinuclidine hydrochloride make it suitable for formulation into various dosage forms, including tablets, capsules, and injectable solutions. These properties are crucial for ensuring consistent drug delivery and bioavailability, which are essential for therapeutic efficacy.

Clinical trials involving 3-chloroquinuclidine hydrochloride are currently underway to evaluate its safety and efficacy in human subjects. Preliminary results from Phase I trials have shown that the compound is well-tolerated at therapeutic doses, with no significant adverse effects reported. These findings are encouraging and pave the way for further clinical development.

In conclusion, 3-Chloroquinuclidine hydrochloride (CAS No. 33601-77-3) is a promising compound with diverse applications in medicinal chemistry and pharmaceutical research. Its unique chemical structure and biological activities make it an attractive candidate for developing new treatments for neurological disorders, pain management, and other therapeutic areas. Ongoing research continues to uncover new insights into its mechanisms of action and potential clinical uses, solidifying its position as an important molecule in modern drug discovery.

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