Cas no 1243415-10-2 (5-(4-(Chloromethyl)phenyl)-3-methylisoxazole-4-carboxylic acid)

5-(4-(Chloromethyl)phenyl)-3-methylisoxazole-4-carboxylic acid is a versatile heterocyclic compound featuring both an isoxazole core and a reactive chloromethyl substituent. Its structural attributes make it a valuable intermediate in organic synthesis, particularly for the development of pharmaceuticals and agrochemicals. The chloromethyl group offers a convenient handle for further functionalization, enabling the introduction of diverse moieties through nucleophilic substitution or cross-coupling reactions. The carboxylic acid functionality enhances solubility and provides additional reactivity for derivatization. This compound’s stability under standard conditions and compatibility with common synthetic methodologies underscore its utility in medicinal chemistry and material science applications. Its well-defined reactivity profile ensures reproducibility in complex synthetic routes.
5-(4-(Chloromethyl)phenyl)-3-methylisoxazole-4-carboxylic acid structure
1243415-10-2 structure
Product Name:5-(4-(Chloromethyl)phenyl)-3-methylisoxazole-4-carboxylic acid
CAS No:1243415-10-2
MF:C12H10ClNO3
MW:251.665702342987
MDL:MFCD14706772
CID:1082451
PubChem ID:58539492
Update Time:2025-10-29

5-(4-(Chloromethyl)phenyl)-3-methylisoxazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-(4-(Chloromethyl)phenyl)-3-methylisoxazole-4-carboxylic acid
    • 5-[4-(chloromethyl)phenyl]-3-methyl-1,2-oxazole-4-carboxylic acid
    • 5-[4-(chloromethyl)phenyl]-3-methyl-4-Isoxazolecarboxylic acid
    • DTXSID301177441
    • AM806935
    • AKOS022177579
    • MB14515
    • SCHEMBL3702392
    • 4-Isoxazolecarboxylic acid, 5-[4-(chloromethyl)phenyl]-3-methyl-
    • 5-(4-Chloromethyl-phenyl)-3-methyl-isoxazole-4-carboxylic acid
    • DA-18963
    • 1243415-10-2
    • JVJVXXMFTFTUDP-UHFFFAOYSA-N
    • MDL： MFCD14706772
    • Inchi： 1S/C12H10ClNO3/c1-7-10(12(15)16)11(17-14-7)9-4-2-8(6-13)3-5-9/h2-5H,6H2,1H3,(H,15,16)
    • InChI Key： JVJVXXMFTFTUDP-UHFFFAOYSA-N
    • SMILES： ClCC1C=CC(=CC=1)C1=C(C(=O)O)C(C)=NO1

Computed Properties

  • Exact Mass: 251.0349209g/mol
  • Monoisotopic Mass: 251.0349209g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • 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: 2.3
  • Topological Polar Surface Area: 63.3?2

5-(4-(Chloromethyl)phenyl)-3-methylisoxazole-4-carboxylic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
eNovation Chemicals LLC
Y0990873-5g
5-(4-(chloromethyl)phenyl)-3-methylisoxazole-4-carboxylic acid
 1243415-10-2 95%
5g
 $2100 2024-08-02
eNovation Chemicals LLC
Y0990873-5g
5-(4-(chloromethyl)phenyl)-3-methylisoxazole-4-carboxylic acid
 1243415-10-2 95%
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 $2100 2025-02-26
eNovation Chemicals LLC
Y0990873-5g
5-(4-(chloromethyl)phenyl)-3-methylisoxazole-4-carboxylic acid
 1243415-10-2 95%
5g
 $2100 2025-02-27

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