Cas no 1217475-54-1 ((R)-1-(3-Chloro-5-fluorophenyl)ethanamine hydrochloride)

(R)-1-(3-Chloro-5-fluorophenyl)ethanamine hydrochloride is a chiral amine derivative featuring a chloro-fluorophenyl substituent, commonly utilized in pharmaceutical and agrochemical research. The compound’s stereospecificity, conferred by the (R)-configuration, makes it valuable for enantioselective synthesis and drug development. Its hydrochloride salt form enhances stability and solubility, facilitating handling and storage. The presence of both chloro and fluoro substituents on the phenyl ring contributes to its utility as a versatile intermediate in medicinal chemistry, particularly in the design of bioactive molecules. This compound is suitable for applications requiring high purity and precise stereochemistry, meeting the demands of advanced synthetic and pharmacological studies.
(R)-1-(3-Chloro-5-fluorophenyl)ethanamine hydrochloride structure
1217475-54-1 structure
Product Name:(R)-1-(3-Chloro-5-fluorophenyl)ethanamine hydrochloride
CAS No:1217475-54-1
MF:C8H9ClFN
MW:173.615164518356
MDL:MFCD12758063
CID:1030352
PubChem ID:45072408
Update Time:2025-06-12

(R)-1-(3-Chloro-5-fluorophenyl)ethanamine hydrochloride Chemical and Physical Properties

Names and Identifiers

    • (R)-1-(3-Chloro-5-fluorophenyl)ethanamine hydrochloride
    • (1R)-1-(3-chloro-5-fluorophenyl)ethanamine,hydrochloride
    • (R)-1-(3-Chloro-5-fluorophenyl)ethamine hydrochloride
    • EN300-1968008
    • AKOS015840218
    • (1R)-1-(3-chloro-5-fluorophenyl)ethan-1-amine
    • (1R)-1-(3-chloro-5-fluorophenyl)ethanamine
    • F16961
    • SCHEMBL16649721
    • (R)-1-(3-Chloro-5-fluorophenyl)ethanamine
    • AKOS006285381
    • 1217475-54-1
    • MFCD07772683
    • (1R)-1-(5-CHLORO-3-FLUOROPHENYL)ETHYLAMINE
    • DS-018838
    • Benzenemethanamine, 3-chloro-5-fluoro-alpha-methyl-, (alphaR)-
    • MDL: MFCD12758063
    • Inchi: 1S/C8H9ClFN/c1-5(11)6-2-7(9)4-8(10)3-6/h2-5H,11H2,1H3/t5-/m1/s1
    • InChI Key: BVVJDCFVSXSRBB-RXMQYKEDSA-N
    • SMILES: ClC1=CC(=CC(=C1)[C@@H](C)N)F

Computed Properties

  • Exact Mass: 173.0407551g/mol
  • Monoisotopic Mass: 173.0407551g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 131
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 26?2

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Additional information on (R)-1-(3-Chloro-5-fluorophenyl)ethanamine hydrochloride

Comprehensive Overview of (R)-1-(3-Chloro-5-fluorophenyl)ethanamine hydrochloride (CAS No. 1217475-54-1)

(R)-1-(3-Chloro-5-fluorophenyl)ethanamine hydrochloride is a chiral amine derivative with significant applications in pharmaceutical research and organic synthesis. This compound, identified by CAS No. 1217475-54-1, is a hydrochloride salt form of the enantiomerically pure (R)-1-(3-Chloro-5-fluorophenyl)ethanamine. Its unique structural features, including the 3-chloro-5-fluorophenyl moiety and the chiral center, make it a valuable intermediate in the development of bioactive molecules and therapeutic agents.

The growing interest in chiral amines like (R)-1-(3-Chloro-5-fluorophenyl)ethanamine hydrochloride stems from their role in asymmetric synthesis and drug discovery. Researchers are increasingly focusing on enantioselective catalysis and pharmaceutical intermediates, which aligns with the demand for high-purity chiral compounds. This compound's fluorine and chlorine substituents enhance its reactivity and binding affinity, making it a candidate for targeting specific biological pathways.

In the context of AI-driven drug discovery and computational chemistry, CAS No. 1217475-54-1 has garnered attention due to its potential in virtual screening and molecular docking studies. The integration of machine learning in chemical research has accelerated the identification of novel applications for such compounds. For instance, its structural analogs are being explored for their efficacy in central nervous system (CNS) disorders and metabolic diseases, reflecting broader trends in precision medicine.

From a synthetic perspective, the preparation of (R)-1-(3-Chloro-5-fluorophenyl)ethanamine hydrochloride involves asymmetric hydrogenation or enzymatic resolution techniques. These methods are critical for achieving high enantiomeric excess (ee), a key parameter in pharmaceutical manufacturing. The compound's hydrochloride salt form improves its stability and solubility, facilitating its use in formulation studies.

Environmental and green chemistry considerations are also shaping the discourse around this compound. Researchers are investigating sustainable synthesis routes to minimize waste and energy consumption. The halogenated aromatic structure of (R)-1-(3-Chloro-5-fluorophenyl)ethanamine hydrochloride poses challenges in this regard, but advances in catalytic processes offer promising solutions.

In summary, (R)-1-(3-Chloro-5-fluorophenyl)ethanamine hydrochloride (CAS No. 1217475-54-1) exemplifies the intersection of chiral chemistry, drug development, and sustainable innovation. Its versatility and relevance to cutting-edge research ensure its continued prominence in the scientific community.

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