Cas no 21617-14-1 (B-ALANINE, N-(3-CHLOROPHENYL)-)

B-ALANINE, N-(3-CHLOROPHENYL)- structure
21617-14-1 structure
Product Name:B-ALANINE, N-(3-CHLOROPHENYL)-
CAS No:21617-14-1
MF:C9H10ClNO2
MW:199.63
CID:1402912
PubChem ID:12470919
Update Time:2025-04-23

B-ALANINE, N-(3-CHLOROPHENYL)- Chemical and Physical Properties

Names and Identifiers

    • b-Alanine, N-(3-chlorophenyl)-
    • N-(3-CHLOROPHENYL)-B-ALANINE
    • OTAVA-BB 1142584
    • 3-(m-chloroanilino)-propionic acid
    • UKRORGSYN-BB BBV-215959
    • β-Alanine, N-(3-chlorophenyl)-
    • YHXKNYLHVMSFKC-UHFFFAOYSA-N
    • AKOS000298386
    • 21617-14-1
    • 3-(3-chloroanilino)propanoic acid
    • G70850
    • 3-(m-chloroanilino)propionic acid
    • 3-[(3-CHLOROPHENYL)AMINO]PROPANOIC ACID
    • 3-(m-chloro-anilino)propionic acid
    • 3-((3-Chlorophenyl)amino)propanoic acid
    • 3-m-chloroanilinopropionic acid
    • SCHEMBL9525199
    • B-ALANINE, N-(3-CHLOROPHENYL)-
    • Inchi: 1S/C9H10ClNO2/c10-7-2-1-3-8(6-7)11-5-4-9(12)13/h1-3,6,11H,4-5H2,(H,12,13)
    • InChI Key: YHXKNYLHVMSFKC-UHFFFAOYSA-N
    • SMILES: C(O)(=O)CCNC1C=CC=C(Cl)C=1

Computed Properties

  • Exact Mass: 199.0400063g/mol
  • Monoisotopic Mass: 199.0400063g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 175
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 49.3?2

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B-ALANINE, N-(3-CHLOROPHENYL)- Related Literature

Additional information on B-ALANINE, N-(3-CHLOROPHENYL)-

Comprehensive Guide to b-Alanine, N-(3-chlorophenyl)- (CAS No. 21617-14-1): Properties, Applications, and Market Insights

b-Alanine, N-(3-chlorophenyl)- (CAS No. 21617-14-1) is a specialized organic compound that has garnered significant attention in the fields of pharmaceuticals, agrochemicals, and material science. This compound, characterized by its unique molecular structure combining b-alanine and a 3-chlorophenyl group, exhibits versatile chemical properties that make it valuable for various industrial and research applications. As interest in customized amino acid derivatives grows, this compound stands out due to its potential in drug development and specialty chemical formulations.

The chemical structure of b-Alanine, N-(3-chlorophenyl)- features a beta-alanine backbone modified with a 3-chlorophenyl substituent, which enhances its reactivity and binding affinity. This structural feature makes it particularly useful in the synthesis of peptide mimetics and small molecule inhibitors, areas of high interest in modern medicinal chemistry. Researchers are increasingly exploring its role in developing targeted therapies, especially in the context of neurological disorders and metabolic diseases, which are among the most searched topics in pharmaceutical research today.

In agrochemical applications, b-Alanine, N-(3-chlorophenyl)- has shown promise as an intermediate in the production of crop protection agents. With the global push toward sustainable agriculture and reduced pesticide use, this compound's potential to contribute to eco-friendly formulations aligns with current market trends. Its chlorophenyl moiety provides enhanced stability and efficacy, making it a candidate for next-generation plant growth regulators and herbicide synergists.

The synthesis of b-Alanine, N-(3-chlorophenyl)- typically involves amide coupling reactions between beta-alanine and 3-chlorobenzoyl derivatives, a process optimized for high yield and purity. Recent advancements in green chemistry have led to more sustainable production methods, reducing the environmental footprint of its manufacturing. This aligns with the growing demand for green synthetic routes in the chemical industry, a topic frequently searched by professionals in the field.

From a commercial perspective, the market for b-Alanine, N-(3-chlorophenyl)- is expanding, driven by its applications in high-value pharmaceuticals and specialty chemicals. Suppliers and manufacturers are focusing on GMP-compliant production to meet the stringent requirements of the pharmaceutical sector. Additionally, the compound's role in research and development continues to grow, particularly in academic and industrial labs exploring novel bioactive molecules.

Quality control and analytical characterization of b-Alanine, N-(3-chlorophenyl)- are critical for ensuring its suitability in sensitive applications. Techniques such as HPLC, NMR spectroscopy, and mass spectrometry are commonly employed to verify its purity and structural integrity. These methods are essential for researchers and manufacturers who require high-purity intermediates for their work, another frequently searched topic in chemical databases.

In summary, b-Alanine, N-(3-chlorophenyl)- (CAS No. 21617-14-1) is a compound of significant scientific and industrial interest. Its unique properties and applications in pharmaceuticals, agrochemicals, and material science make it a valuable asset in modern chemistry. As research continues to uncover new uses for this molecule, its relevance in both academic and commercial settings is expected to grow, solidifying its position as a key player in the field of specialty chemicals.

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