2-(Methoxyimino)-3-oxo-butanoic Acid 1,1-Dimethylethyl Ester - CAS 76674-93-6
Catalog: |
BB059162 |
Product Name: |
2-(Methoxyimino)-3-oxo-butanoic Acid 1,1-Dimethylethyl Ester |
CAS: |
76674-93-6 |
Synonyms: |
tert-butyl 2-methoxyimino-3-oxobutyrate; tert-butyl 2-methoxyimino-3-oxobutanoate; 2-Methoxyiminoacetoacetic acid-tert.-butyl ester; Tertiary-butyl 2-methoxyimino-3-oxobutyrate |
IUPAC Name: | tert-butyl 2-methoxyimino-3-oxobutanoate |
Description: | 2-(Methoxyimino)-3-oxo-butanoic Acid 1,1-Dimethylethyl Ester is an intermediate used in the synthesis of Cefotaxime Bromoacetyl Analogue (C242940), which is an impurity of Cefotaxime (C242950), a broad spectrum third generation cephalosporin antibiotic. |
Molecular Weight: | 201.22 |
Molecular Formula: | C9H15NO4 |
Canonical SMILES: | CC(=O)C(=NOC)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C9H15NO4/c1-6(11)7(10-13-5)8(12)14-9(2,3)4/h1-5H3 |
InChI Key: | NGQMPYHAZGBVKN-UHFFFAOYSA-N |
References: | Wise, R., et al. Antimicrob. Agents Chemother., 14, 807 (1978), Muhtadi, F.J., et al. Anal. Profiles Drug Subs., 11, 139 (1982),. |
Complexity: | 263 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.10010796 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.10010796 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 65Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 1.4 |
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