Cas no 1241678-48-7 ((1S)-1-(3-chloro-5-fluorophenyl)ethan-1-amine)

(1S)-1-(3-Chloro-5-fluorophenyl)ethan-1-amine is a chiral amine derivative featuring a stereogenic center at the benzylic carbon, with a 3-chloro-5-fluorophenyl substituent. This compound is of significant interest in pharmaceutical and agrochemical synthesis due to its enantioselective properties, which can influence biological activity and selectivity. The presence of both chloro and fluoro substituents on the aromatic ring enhances its utility as a versatile intermediate, enabling further functionalization via cross-coupling or nucleophilic substitution reactions. Its high optical purity makes it particularly valuable for asymmetric synthesis and the development of active pharmaceutical ingredients (APIs). The compound is typically handled under inert conditions to preserve its stability and reactivity.
(1S)-1-(3-chloro-5-fluorophenyl)ethan-1-amine structure
1241678-48-7 structure
Product Name:(1S)-1-(3-chloro-5-fluorophenyl)ethan-1-amine
CAS No:1241678-48-7
MF:C8H9ClFN
MW:173.615164518356
MDL:MFCD12758064
CID:2158295
PubChem ID:92134908
Update Time:2025-11-02

(1S)-1-(3-chloro-5-fluorophenyl)ethan-1-amine Chemical and Physical Properties

Names and Identifiers

    • (1S)-1-(5-chloro-3-fluorophenyl)ethylamine-hcl
    • (1S)-1-(5-chloro-3-fluorophenyl)ethylamine hydrochloride
    • (S)-1-(3-chloro-5-fluorophenyl)ethan-1-amine
    • (S)-1-(3-Chloro-5-fluorophenyl)ethanamine
    • (αS)-3-Chloro-5-fluoro-α-methylbenzenemethanamine
    • (1S)-1-(3-chloro-5-fluorophenyl)ethan-1-amine
    • EN300-1982036
    • Benzenemethanamine, 3-chloro-5-fluoro-alpha-methyl-, (alphaS)-
    • (1S)-1-(5-Chloro-3-fluorophenyl)ethylamine
    • MFCD07772567
    • N11036
    • 1241678-48-7
    • (1S)-1-(3-CHLORO-5-FLUOROPHENYL)ETHANAMINE
    • MDL: MFCD12758064
    • Inchi: 1S/C8H9ClFN/c1-5(11)6-2-7(9)4-8(10)3-6/h2-5H,11H2,1H3/t5-/m0/s1
    • InChI Key: BVVJDCFVSXSRBB-YFKPBYRVSA-N
    • SMILES: [C@H](C1=CC(F)=CC(Cl)=C1)(N)C

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: 2
  • 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

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 209.4±25.0 °C at 760 mmHg
  • Flash Point: 80.4±23.2 °C
  • Vapor Pressure: 0.2±0.4 mmHg at 25°C

(1S)-1-(3-chloro-5-fluorophenyl)ethan-1-amine Security Information

(1S)-1-(3-chloro-5-fluorophenyl)ethan-1-amine Pricemore >>

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eNovation Chemicals LLC
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Additional information on (1S)-1-(3-chloro-5-fluorophenyl)ethan-1-amine

Comprehensive Guide to (1S)-1-(3-chloro-5-fluorophenyl)ethan-1-amine (CAS No. 1241678-48-7): Properties, Applications, and Market Insights

The compound (1S)-1-(3-chloro-5-fluorophenyl)ethan-1-amine (CAS No. 1241678-48-7) is a chiral amine derivative with significant potential in pharmaceutical and chemical research. This optically active amine features a 3-chloro-5-fluorophenyl group, making it a valuable intermediate in drug discovery. Researchers and manufacturers are increasingly interested in this compound due to its unique structural properties and versatility in synthetic applications.

From a chemical perspective, (1S)-1-(3-chloro-5-fluorophenyl)ethan-1-amine belongs to the class of arylalkylamines. The presence of both chloro and fluoro substituents on the aromatic ring enhances its electronic properties, which is particularly valuable in medicinal chemistry. The chiral center at the alpha position to the amino group makes this compound especially interesting for asymmetric synthesis and enantioselective transformations.

The pharmaceutical industry has shown growing interest in CAS 1241678-48-7 as a building block for drug development. Recent studies suggest its potential as a precursor in the synthesis of CNS-active compounds, particularly those targeting neurological disorders—a hot topic in current medical research. The compound's structural motif appears in several investigational drugs undergoing clinical trials, reflecting its importance in modern drug design.

In synthetic chemistry, (1S)-1-(3-chloro-5-fluorophenyl)ethan-1-amine serves as a versatile intermediate. Its applications include: serving as a chiral auxiliary in asymmetric synthesis, acting as a ligand precursor in catalyst systems, and functioning as a key component in the preparation of biologically active molecules. The halogenated phenyl group provides excellent opportunities for further functionalization through cross-coupling reactions.

Market analysis indicates rising demand for high-purity chiral amines like 1241678-48-7, driven by the pharmaceutical industry's need for enantiomerically pure intermediates. Current trends show that manufacturers are developing more efficient synthetic routes to this compound, with particular focus on green chemistry approaches and catalytic asymmetric synthesis methods—topics frequently searched by professionals in the field.

Quality control of (1S)-1-(3-chloro-5-fluorophenyl)ethan-1-amine typically involves advanced analytical techniques. HPLC with chiral stationary phases is commonly employed to determine enantiomeric purity, while NMR and mass spectrometry verify structural integrity. These analytical methods are crucial for pharmaceutical applications where isomeric purity is paramount—a frequently discussed subject in research forums.

Storage and handling of CAS 1241678-48-7 require standard precautions for amine compounds. While not classified as highly hazardous, proper storage in airtight containers under inert atmosphere is recommended to maintain stability. The compound's physicochemical properties (including solubility characteristics) make it suitable for various reaction conditions, a practical consideration often searched by synthetic chemists.

Recent scientific literature highlights innovative applications of (1S)-1-(3-chloro-5-fluorophenyl)ethan-1-amine in materials science. Its incorporation into functional polymers and coordination complexes has shown promise in developing advanced materials with tailored electronic properties. This interdisciplinary application aligns with current research trends in smart materials development.

The future outlook for 1241678-48-7 appears promising, with potential expansions into agrochemical applications and specialty chemical production. As research continues into halogenated aromatic compounds, this particular chiral amine is likely to gain more attention for its balanced electronic and steric properties—a combination frequently sought in modern synthetic chemistry.

For researchers considering working with (1S)-1-(3-chloro-5-fluorophenyl)ethan-1-amine, several key considerations emerge: the importance of stereochemical control in synthetic pathways, the need for reliable analytical methods to confirm purity, and the exploration of novel applications beyond traditional pharmaceutical uses. These aspects represent current discussion points in scientific communities and frequently appear in search queries related to chiral building blocks.

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