Cas no 1391540-47-8 ((1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine hydrochloride)

(1S)-1-[4-(Trifluoromethoxy)phenyl]ethanamine hydrochloride is a chiral amine derivative featuring a trifluoromethoxy-substituted aromatic ring. The compound’s stereospecific (S)-configuration enhances its potential as a key intermediate in pharmaceutical synthesis, particularly for bioactive molecules requiring precise chirality. The trifluoromethoxy group contributes to increased lipophilicity and metabolic stability, making it valuable in drug design. The hydrochloride salt form improves solubility and handling properties. This compound is suitable for use in asymmetric synthesis, medicinal chemistry research, and the development of receptor-targeting agents. Its well-defined structure and high purity ensure reproducibility in experimental and industrial applications. Proper storage under anhydrous conditions is recommended to maintain stability.
(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine hydrochloride structure
1391540-47-8 structure
Product Name:(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine hydrochloride
CAS No:1391540-47-8
MF:C9H11ClF3NO
MW:241.63795208931
MDL:MFCD12757222
CID:2357886
PubChem ID:86346348
Update Time:2025-05-23

(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine hydrochloride Chemical and Physical Properties

Names and Identifiers

    • (S)-1-(4-(trifluoromethoxy)phenyl)ethan-1-amine hydrochloride
    • (S)-1-(4-(Trifluoromethoxy)phenyl)ethanamine hydrochloride
    • Benzenemethanamine, α-methyl-4-(trifluoromethoxy)-, (αS)- (hydrochloride)
    • (1S)-1-[4-(trifluoromethoxy)phenyl]ethan-1-amine hydrochloride
    • (S)-1-(4-(Trifluoromethoxy)phenyl)ethanamine HCl
    • NE28493
    • Benzenemethanamine,alpha-methyl-4-(trifluoromethoxy)-,(alphaS)-(hydrochloride)
    • Benzenemethanamine, alpha-methyl-4-(trifluoromethoxy)-, hydrochloride (1:1), (alphaS)-
    • (1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine hydrochloride
    • CS-B0922
    • CPD109174-A4?
    • GS-7303
    • (1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
    • MFCD12757222
    • Y10713
    • AKOS024462801
    • DS-019111
    • (S)-1-(4-(Trifluoromethoxy)phenyl)ethanaminehydrochloride
    • 1391540-47-8
    • SCHEMBL23045537
    • EN300-177356
    • (S)-1-[4-(Trifluoromethoxy)phenyl]ethanamine Hydrochloride
    • RFC54047
    • 813-557-7
    • MDL: MFCD12757222
    • Inchi: 1S/C9H10F3NO.ClH/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12;/h2-6H,13H2,1H3;1H/t6-;/m0./s1
    • InChI Key: CRAQSXJYHZMDFP-RGMNGODLSA-N
    • SMILES: Cl.FC(OC1C=CC(=CC=1)[C@H](C)N)(F)F

Computed Properties

  • Exact Mass: 241.0481262g/mol
  • Monoisotopic Mass: 241.0481262g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 175
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 35.2

(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine hydrochloride Pricemore >>

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Additional information on (1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine hydrochloride

(1S)-1-[4-(Trifluoromethoxy)Phenyl]Ethanamine Hydrochloride: A Comprehensive Overview

(1S)-1-[4-(Trifluoromethoxy)Phenyl]Ethanamine Hydrochloride, identified by the CAS number 1391540-47-8, is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound is a chiral amine derivative with a trifluoromethoxy substituent, which imparts unique chemical and biological properties. The hydrochloride salt form is commonly used in research and development due to its stability and solubility characteristics.

The structure of (1S)-1-[4-(Trifluoromethoxy)Phenyl]Ethanamine Hydrochloride consists of a phenyl ring substituted with a trifluoromethoxy group at the para position, connected to an ethanamine backbone. The (1S) configuration indicates the specific stereochemistry at the chiral center, which is crucial for its biological activity. The trifluoromethoxy group is known for its electron-withdrawing properties, which can influence the compound's reactivity and interactions with biological systems.

Recent studies have highlighted the potential of (1S)-1-[4-(Trifluoromethoxy)Phenyl]Ethanamine Hydrochloride as a lead compound in drug discovery. Its ability to modulate various biological pathways, including kinase activity and receptor binding, has been extensively investigated. For instance, research published in 2023 demonstrated its efficacy in inhibiting specific protein kinases involved in cancer cell proliferation, suggesting its potential as an anti-cancer agent.

The synthesis of this compound involves a multi-step process, typically starting with the preparation of the trifluoromethoxy aromatic intermediate. The introduction of the ethanamine group is achieved through nucleophilic substitution or coupling reactions, followed by acidification to obtain the hydrochloride salt. Optimization of these steps has led to improved yields and purity, making it more accessible for large-scale production.

In terms of applications, (1S)-1-[4-(Trifluoromethoxy)Phenyl]Ethanamine Hydrochloride has shown promise in both therapeutic and diagnostic contexts. Its role as a chiral building block in medicinal chemistry has facilitated the development of enantiomerically pure compounds, which are essential for studying stereochemical effects on pharmacokinetics and efficacy. Additionally, its use as a ligand in metal-mediated catalysis has opened new avenues for asymmetric synthesis.

From an environmental perspective, understanding the fate and behavior of (1S)-1-[4-(Trifluoromethoxy)Phenyl]Ethanamine Hydrochloride in natural systems is critical. Studies have shown that its degradation under aerobic conditions is relatively slow due to the stability imparted by the trifluoromethoxy group. However, advanced treatment methods such as photocatalytic oxidation have been shown to effectively break down the compound into less harmful byproducts.

In conclusion, (1S)-1-[4-(Trifluoromethoxy)Phenyl]Ethanamine Hydrochloride (CAS No. 1391540-47-8) stands out as a versatile compound with wide-ranging applications in chemistry and biology. Its unique structure, combined with recent advancements in synthesis and application techniques, positions it as a valuable tool for future research and development.

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