Cas no 325486-45-1 (tert-butyl 4-oxo-2,3-dihydropyridine-1-carboxylate)

tert-butyl 4-oxo-2,3-dihydropyridine-1-carboxylate structure
325486-45-1 structure
Product Name:tert-butyl 4-oxo-2,3-dihydropyridine-1-carboxylate
CAS No:325486-45-1
MF:C10H15NO3
MW:197.231003046036
MDL:MFCD08437478
CID:1005909
PubChem ID:22495568
Update Time:2025-04-20

tert-butyl 4-oxo-2,3-dihydropyridine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 4-oxo-3,4-dihydropyridine-1(2H)-carboxylate
    • 4-Oxo-3,4-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
    • 4‐OXO‐3,4‐DIHYDRO‐2H‐PYRIDINE‐1‐CARBOXYLIC ACID TERT‐BUTYL ESTER
    • 1-(tert-butoxycarbonyl)-1,2,3,4-tetrahydropyridin-4-one
    • 1-t-butoxycarbonyl-2,3-dehydro-4-piperidone
    • AG-F-08858
    • ANW-74183
    • CTK4G8865
    • SureCN2600437
    • tert-butyl 4-oxo-2,3-dihydropyridine-1-carboxylate
    • 1-Boc-4-oxo-2,3-dihydropyridine
    • SCHEMBL2600437
    • J-515905
    • 325486-45-1
    • 1-Boc-2,3-dihydropyridin-4(1H)-one
    • DA-17828
    • 4-Oxo-3,4-dihydro-2H-pyridine-1-carboxylicacid tert-butyl ester
    • SY271470
    • MB06128
    • BS-16520
    • CS-0138540
    • DTXSID30626191
    • MFCD08437478
    • HUBLTIMZFCYNES-UHFFFAOYSA-N
    • 4-Oxo-3,4-dihydro-2H-?pyridine-?1-?carboxylic acid tert-butyl ester
    • TERT-BUTYL 4-OXO-1,2,3,4-TETRAHYDROPYRIDINE-1-CARBOXYLATE
    • A875588
    • EN300-729578
    • tert-Butyl4-oxo-3,4-dihydropyridine-1(2H)-carboxylate
    • 4-Oxo-3,4-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester, AldrichCPR
    • AKOS006289859
    • P17429
    • MDL: MFCD08437478
    • Inchi: 1S/C10H15NO3/c1-10(2,3)14-9(13)11-6-4-8(12)5-7-11/h4,6H,5,7H2,1-3H3
    • InChI Key: HUBLTIMZFCYNES-UHFFFAOYSA-N
    • SMILES: O(C(N1C=CC(CC1)=O)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 197.10525
  • Monoisotopic Mass: 197.105
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 276
  • 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: 46.6A^2
  • XLogP3: 0.7

Experimental Properties

  • Density: 1.130±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 53-54 oC
  • Boiling Point: 286.3±33.0 oC (760 Torr),
  • Flash Point: 126.9±25.4 oC,
  • Solubility: Slightly soluble (19 g/l) (25 o C),
  • PSA: 46.61
  • LogP: 1.64790

tert-butyl 4-oxo-2,3-dihydropyridine-1-carboxylate Security Information

  • Hazardous Material transportation number:UN 3077 9 / PGIII
  • Hazard Category Code: 36-52
  • Safety Instruction: 26
  • Hazardous Material Identification: Xi

tert-butyl 4-oxo-2,3-dihydropyridine-1-carboxylate Pricemore >>

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