Cas no 1253790-80-5 ((R)-1-(4-Chloro-3-fluorophenyl)ethanamine hydrochloride)

(R)-1-(4-Chloro-3-fluorophenyl)ethanamine hydrochloride is a chiral amine derivative with a stereocenter at the α-carbon, featuring a 4-chloro-3-fluorophenyl substituent. This compound is commonly utilized as a key intermediate in pharmaceutical synthesis, particularly in the development of enantioselective active pharmaceutical ingredients (APIs). The hydrochloride salt enhances stability and solubility, facilitating handling and purification. The presence of both chloro and fluoro substituents on the aromatic ring contributes to its versatility in medicinal chemistry, enabling further functionalization. Its high enantiomeric purity makes it valuable for asymmetric synthesis and drug discovery applications. The compound is typically characterized by NMR, HPLC, and mass spectrometry to ensure quality and consistency.
(R)-1-(4-Chloro-3-fluorophenyl)ethanamine hydrochloride structure
1253790-80-5 structure
Product Name:(R)-1-(4-Chloro-3-fluorophenyl)ethanamine hydrochloride
CAS No:1253790-80-5
MF:C8H10Cl2FN
MW:210.076103687286
MDL:MFCD12547495
CID:1027069
PubChem ID:44828511
Update Time:2025-05-20

(R)-1-(4-Chloro-3-fluorophenyl)ethanamine hydrochloride Chemical and Physical Properties

Names and Identifiers

    • (R)-1-(4-Chloro-3-fluorophenyl)ethanamine hydrochloride
    • (R)-1-(4-Chloro-3-fluorophenyl)ethamine hydrochloride
    • (R)-1-(4-Chloro-3-fluorophenyl)-ethanamine hydrochloride
    • (1R)-1-(4-chloro-3-fluorophenyl)ethanamine;hydrochloride
    • AKOS015844237
    • (R)-1-(4-chloro-3-fluorophenyl)ethanamine HCl
    • (R)-1-(4-Chloro-3-fluorophenyl)ethan-1-amine hydrochloride
    • 1253790-80-5
    • (R)-1-(4-Chloro-3-fluorophenyl)ethanaminehydrochloride
    • CS-0131600
    • SPEWNMFCSPYCCJ-NUBCRITNSA-N
    • (R)-4-Chloro-3-fluoro-alpha-methylbenzylamine hydrochloride
    • (1R)-1-(4-Chloro-3-fluorophenyl)ethylamine hydrochloride
    • DS-14024
    • MFCD12547495
    • Benzenemethanamine, 4-chloro-3-fluoro-alpha-methyl-, hydrochloride (1:1), (alphaR)-
    • (1R)-1-(4-chloro-3-fluorophenyl)ethanamine hydrochloride
    • DB-327927
    • MDL: MFCD12547495
    • Inchi: 1S/C8H9ClFN.ClH/c1-5(11)6-2-3-7(9)8(10)4-6;/h2-5H,11H2,1H3;1H/t5-;/m1./s1
    • InChI Key: SPEWNMFCSPYCCJ-NUBCRITNSA-N
    • SMILES: ClC1C=CC(=CC=1F)[C@@H](C)N.Cl

Computed Properties

  • Exact Mass: 209.01700
  • Monoisotopic Mass: 209.0174329g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 131
  • 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: 26?2

Experimental Properties

  • PSA: 26.02000
  • LogP: 4.00110

(R)-1-(4-Chloro-3-fluorophenyl)ethanamine hydrochloride Customs Data

  • HS CODE:2921499090
  • Customs Data:

    China Customs Code:

    2921499090

    Overview:

    2921499090 Other aromatic monoamines and derivatives and their salts. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2921499090 other aromatic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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Additional information on (R)-1-(4-Chloro-3-fluorophenyl)ethanamine hydrochloride

Introduction to (R)-1-(4-Chloro-3-fluorophenyl)ethanamine Hydrochloride (CAS No. 1253790-80-5)

The compound (R)-1-(4-Chloro-3-fluorophenyl)ethanamine hydrochloride, identified by its CAS number 1253790-80-5, is a significant molecule in the field of pharmaceutical chemistry. This chiral amine derivative has garnered attention due to its unique structural properties and potential applications in drug development. The presence of both chloro and fluoro substituents on the aromatic ring enhances its interaction with biological targets, making it a valuable candidate for further investigation.

In recent years, the pharmaceutical industry has seen a surge in the development of enantiomerically pure compounds to improve therapeutic efficacy and reduce side effects. The stereochemistry of (R)-1-(4-Chloro-3-fluorophenyl)ethanamine hydrochloride plays a crucial role in its biological activity. The (R)-configuration at the chiral center contributes to its specific interactions with enzymes and receptors, which are essential for its pharmacological effects. This has led to extensive research into its potential as a lead compound for various therapeutic applications.

The structural features of this compound make it particularly interesting for medicinal chemists. The combination of a fluorine atom and a chlorine atom on the aromatic ring not only influences the electronic properties of the molecule but also enhances its binding affinity to biological targets. These properties are critical in designing molecules that can selectively interact with specific proteins or enzymes, thereby increasing the drug's potency and selectivity.

Recent studies have highlighted the importance of fluorinated aromatic compounds in drug discovery. The fluorine atom, due to its small size and high electronegativity, can significantly modulate the pharmacokinetic and pharmacodynamic properties of a drug. For instance, it can improve metabolic stability, enhance cell membrane permeability, and increase binding affinity. The compound (R)-1-(4-Chloro-3-fluorophenyl)ethanamine hydrochloride exemplifies these benefits, making it a promising candidate for further development.

One of the most exciting areas of research involving this compound is its potential application in treating neurological disorders. Studies have shown that chiral amine derivatives can interact with neurotransmitter receptors, potentially leading to new treatments for conditions such as depression, anxiety, and Parkinson's disease. The specific stereochemistry of (R)-1-(4-Chloro-3-fluorophenyl)ethanamine hydrochloride makes it an ideal candidate for modulating these receptors effectively.

In addition to neurological applications, this compound has shown promise in other therapeutic areas. For example, it has been investigated for its potential role in anti-inflammatory drugs. The ability of fluorinated aromatic compounds to interact with inflammatory pathways makes them attractive candidates for developing novel anti-inflammatory agents. The unique structural features of (R)-1-(4-Chloro-3-fluorophenyl)ethanamine hydrochloride could lead to the discovery of new drugs that target inflammation more effectively than current treatments.

The synthesis of this compound is another area of interest for researchers. The preparation of enantiomerically pure amine derivatives often involves complex synthetic routes to ensure high yield and purity. Advanced techniques such as asymmetric catalysis and chiral resolution have been employed to achieve high enantiomeric excesses. These synthetic methods are crucial for producing sufficient quantities of the compound for further biological testing.

Computational studies have also played a significant role in understanding the properties of (R)-1-(4-Chloro-3-fluorophenyl)ethanamine hydrochloride. Molecular modeling techniques allow researchers to predict how the compound will interact with biological targets at the atomic level. This information is invaluable for designing new drugs that can be optimized for better efficacy and reduced side effects. By leveraging computational tools, scientists can accelerate the drug discovery process and bring new treatments to patients more quickly.

In conclusion, (R)-1-(4-Chloro-3-fluorophenyl)ethanamine hydrochloride (CAS No. 1253790-80-5) is a promising compound with significant potential in pharmaceutical applications. Its unique structural features, including the presence of chloro and fluoro substituents on an aromatic ring, make it an attractive candidate for drug development. Ongoing research into its biological activity and synthetic methods continues to expand our understanding of its potential applications in treating various diseases.

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