Ethyl (2Z)-2-methoxyimino-3-oxo-butanoate

HCID 43493

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Basic information

CAS: 60846-14-2
Standard SMILES: CCOC(=O)C(=NOC)C(C)=O
InChIKey: HASOOENYFDJEAK-UHFFFAOYSA-N
Molecular formula: C7H11NO4
Average molar mass: 173.17 g/mol
Monoisotopic mass: 173.06880783

Names & identifiers

Preferred name: Ethyl (2Z)-2-methoxyimino-3-oxo-butanoate
IUPAC: ethyl 2-methoxyimino-3-oxobutanoate
English name: ethyl (2Z)-2-methoxyimino-3-oxo-butanoate
Molecular formula: C7H11NO4
Molecular weight: 173.17

Names & synonyms

60846-14-2ETHYL (2Z)-2-METHOXYIMINO-3-OXO-BUTANOATEEthyl 2-(methoxyimino)-3-oxobutanoateethyl 2-methoxyimino-3-oxobutanoateCefodizime Impurity 21Cefotaxime Impurity 58ethyl 2-methoxyiminoacetoactateethyl 2-methoxyiminoacetoacetateSCHEMBL9076933HASOOENYFDJEAK-UHFFFAOYSA-NDTXSID101287171ethyl 2-methoxyimino-3-oxobutyrate

Show more names

Cefotaxime Impurity 2(Z)-ethyl 2-(methoxyimino)-3-oxobutanoate2-Methoxyimino-3-oxobutyric acid ethyl ester2，3-Dioxobutyric acid 2-methyloxime ethyl esterButanoic acid, 2-(methoxyimino)-3-oxo-, ethyl ester2-(Methoxyimino)-3-oxo-butanoic Acid Ethyl Ester (E/Z-Mixture)

ethyl 3-oxo-2-methoxyiminobutyrateKCA84614ethyl 2-methoxyimino-3-oxo-butyrateethyl 2-acetyl-2-methoxyiminoacetateethyl 2-acetyl-2-meth-oxyiminoacetateethyl alpha-methoxyimino-beta-oxobutyrate2-(Methoxyimino)-3-oxo-butanoic acid ethyl ester

Database identifiers

CAS: 60846-14-2
PubChem CID: 43493
DTXSID: DTXSID101287171

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 65 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 12
Formal charge: 0
Complexity: 209

Physicochemical properties

Boiling point: 218 · 218.0±23.0 °C(Predicted)
Density: 1.11 · 1.11±0.1 g/cm3(Predicted)
storage temp.: Refrigerator
solubility: Chloroform, DMSO, Methanol
form: Oil
color: Light Orange to Orange
InChI: InChI=1S/C7H11NO4/c1-4-12-7(10)6(5(2)9)8-11-3/h4H2,1-3H3
InChIKey: HASOOENYFDJEAK-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C(=NOC)C(=O)C

Chemistry & industry

Applications · 1 item

Uses2-(Methoxyimino)-3-oxo-butanoic Acid Ethyl Ester (E/Z-Mixture) is the alternate form of (Z)-2-(Methoxyimino)-3-oxo-butanoic Acid Ethyl Ester (M313255), which is an intermediate in the synthesis of (E)-Cefodizime (C242880). (E)-Cefodizime can be obtained from Ethyl Acetate (E899545), a chemical intermediate used in the production of various analgesics, antibiotics and anti-malarial agents.