Cas no 934016-09-8 (Methyl 4-acetylpicolinate)

Methyl 4-acetylpicolinate structure
Methyl 4-acetylpicolinate structure
Product Name:Methyl 4-acetylpicolinate
CAS No:934016-09-8
MF:C9H9NO3
MW:179.172662496567
MDL:MFCD18256188
CID:1091270
PubChem ID:69248921
Update Time:2025-08-03

Methyl 4-acetylpicolinate Chemical and Physical Properties

Names and Identifiers

    • 4-acetyl-2-Pyridinecarboxylic acid methyl ester
    • Methyl 4-acetylpicolinate
    • methyl 4-acetylpyridine-2-carboxylate
    • GZLDGDOOYSWNMY-UHFFFAOYSA-N
    • FCH1150140
    • AK145099
    • AX8283189
    • DB-209331
    • DS-7989
    • SB53093
    • AKOS022176884
    • Methyl4-acetylpicolinate
    • MFCD18256188
    • SCHEMBL4939178
    • CS-0095190
    • C77204
    • SY316997
    • 934016-09-8
    • MDL: MFCD18256188
    • Inchi: 1S/C9H9NO3/c1-6(11)7-3-4-10-8(5-7)9(12)13-2/h3-5H,1-2H3
    • InChI Key: GZLDGDOOYSWNMY-UHFFFAOYSA-N
    • SMILES: O=C(C1C=C(C(C)=O)C=CN=1)OC

Computed Properties

  • Exact Mass: 179.058243149g/mol
  • Monoisotopic Mass: 179.058243149g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 215
  • 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
  • Topological Polar Surface Area: 56.3
  • XLogP3: 0.7

Methyl 4-acetylpicolinate Pricemore >>

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Methyl 4-acetylpicolinate Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Palladium diacetate ,  1,1-Bis(diphenylphosphino)ferrocene Solvents: Ethanol ;  rt; 16 h, 55 °C
Reference
Preparation of 6-aza-quinoline derivatives for preventing or treating cancer in patients with oncogenic mutations in the BRAF gene and B-Raf protein
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Catalysts: Tetrakis(triphenylphosphine)palladium Solvents: 1,4-Dioxane ;  16 h, 100 °C
1.2 Reagents: Hydrochloric acid Solvents: Tetrahydrofuran ,  Water ;  3 h, rt
1.3 Reagents: Sodium bicarbonate Solvents: Water ;  pH 6 - 7, rt
Reference
Preparation of heterocyclic FXR modulators
, World Intellectual Property Organization, , ,

Methyl 4-acetylpicolinate Raw materials

Methyl 4-acetylpicolinate Preparation Products

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