Cas no 153895-80-8 (methyl 6-oxo-1,2-diazinane-4-carboxylate)

Methyl 6-oxo-1,2-diazinane-4-carboxylate is a heterocyclic compound featuring a diazinane core with a keto and ester functional group, making it a versatile intermediate in organic synthesis. Its structure is particularly valuable for constructing pharmacologically active molecules, such as piperazine derivatives, due to the presence of reactive sites amenable to further functionalization. The ester group allows for straightforward derivatization, while the keto functionality offers opportunities for nucleophilic additions or reductions. This compound is useful in medicinal chemistry for the development of bioactive scaffolds. Its stability under standard conditions and compatibility with common synthetic methodologies enhance its practicality in laboratory applications.
methyl 6-oxo-1,2-diazinane-4-carboxylate structure
153895-80-8 structure
Product Name:methyl 6-oxo-1,2-diazinane-4-carboxylate
CAS No:153895-80-8
MF:C6H10N2O3
MW:158.155201435089
MDL:MFCD00243485
CID:1077492
PubChem ID:4321628
Update Time:2025-10-28

methyl 6-oxo-1,2-diazinane-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 6-oxohexahydropyridazine-4-carboxylate
    • methyl 6-oxodiazinane-4-carboxylate
    • methyl 6-oxo-1,2-diazinane-4-carboxylate
    • METHYL 6-OXOHEXAHYDRO-4-PYRIDAZINECARBOXYLATE
    • 6-oxo-4-hexahydropyridazinecarboxylic acid methyl ester
    • 6-ketohexahydropyridazine-4-carboxylic acid methyl ester
    • 6-OXO-HEXAHYDRO-PYRIDAZINE-4-CARBOXYLIC ACID METHYL ESTER
    • EN300-122514
    • MFCD00243485
    • STL582067
    • methyl 6-oxopiperazine-4-carboxylate
    • G21961
    • ALBB-017139
    • F2147-0596
    • 153895-80-8
    • Z1198152912
    • 4-pyridazinecarboxylic acid, hexahydro-6-oxo-, methyl ester
    • SCHEMBL16612384
    • AKOS005101808
    • 8H-007
    • methyl6-oxohexahydropyridazine-4-carboxylate
    • MDL: MFCD00243485
    • Inchi: 1S/C6H10N2O3/c1-11-6(10)4-2-5(9)8-7-3-4/h4,7H,2-3H2,1H3,(H,8,9)
    • InChI Key: DLDWDQWZWAVSJB-UHFFFAOYSA-N
    • SMILES: O(C)C(C1CC(NNC1)=O)=O

Computed Properties

  • Exact Mass: 158.06914219g/mol
  • Monoisotopic Mass: 158.06914219g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 181
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.1
  • Topological Polar Surface Area: 67.4?2

methyl 6-oxo-1,2-diazinane-4-carboxylate Security Information

  • HazardClass:IRRITANT

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