Cas no 713518-44-6 (Ethyl 2-chloro-4-phenylnicotinate)

Ethyl 2-chloro-4-phenylnicotinate is a versatile nicotinate derivative widely used as a key intermediate in organic synthesis and pharmaceutical research. Its structure features a chloro substituent at the 2-position and a phenyl group at the 4-position of the pyridine ring, enhancing its reactivity for further functionalization. This compound is particularly valuable in the synthesis of heterocyclic compounds and active pharmaceutical ingredients (APIs) due to its stability and compatibility with various coupling reactions. Its ester group allows for straightforward derivatization, making it a practical building block for medicinal chemistry applications. High purity and consistent quality ensure reliable performance in research and industrial settings.
Ethyl 2-chloro-4-phenylnicotinate structure
713518-44-6 structure
Product Name:Ethyl 2-chloro-4-phenylnicotinate
CAS No:713518-44-6
MF:C14H12ClNO2
MW:261.703582763672
CID:1750019
PubChem ID:131857997
Update Time:2025-05-27

Ethyl 2-chloro-4-phenylnicotinate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 2-chloro-4-phenylnicotinate
    • ethyl 2-chloro-4-phenylpyridine-3-carboxylate
    • 713518-44-6
    • G63297
    • Inchi： 1S/C14H12ClNO2/c1-2-18-14(17)12-11(8-9-16-13(12)15)10-6-4-3-5-7-10/h3-9H,2H2,1H3
    • InChI Key： IBTWDBDTIYZIKU-UHFFFAOYSA-N
    • SMILES： ClC1C(C(=O)OCC)=C(C=CN=1)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 261.0556563g/mol
  • Monoisotopic Mass: 261.0556563g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 279
  • 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: 3.7
  • Topological Polar Surface Area: 39.2?2

Experimental Properties

  • Density: 1.221

Ethyl 2-chloro-4-phenylnicotinate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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