Cas no 1779495-01-0 (Methyl 6-chloro-2-phenylpyrimidine-4-carboxylate)

Methyl 6-chloro-2-phenylpyrimidine-4-carboxylate is a pyrimidine derivative with a chloro substituent at the 6-position and a phenyl group at the 2-position, esterified at the 4-carboxyl position. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its structural features, including the electron-withdrawing chloro group and the ester functionality, enhance reactivity in nucleophilic substitution and cross-coupling reactions. The phenyl and pyrimidine moieties contribute to its potential as a scaffold for bioactive molecules. The compound exhibits stability under standard conditions, facilitating handling and storage in synthetic applications. Its purity and well-defined structure make it suitable for precision chemical transformations.
Methyl 6-chloro-2-phenylpyrimidine-4-carboxylate structure
1779495-01-0 structure
Product Name:Methyl 6-chloro-2-phenylpyrimidine-4-carboxylate
CAS No:1779495-01-0
MF:C12H9ClN2O2
MW:248.665061712265
CID:4817592
Update Time:2026-02-27

Methyl 6-chloro-2-phenylpyrimidine-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 6-chloro-2-phenylpyrimidine-4-carboxylate
    • Inchi: 1S/C12H9ClN2O2/c1-17-12(16)9-7-10(13)15-11(14-9)8-5-3-2-4-6-8/h2-7H,1H3
    • InChI Key: KNTLYPWWHXDYPH-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C(=O)OC)N=C(C2C=CC=CC=2)N=1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 269
  • XLogP3: 3.4
  • Topological Polar Surface Area: 52.1

Methyl 6-chloro-2-phenylpyrimidine-4-carboxylate Pricemore >>

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