4-Ethyl-2,3-dioxopiperazine-1-carbonyl Chloride - CAS 59703-00-3
Catalog: |
BB030465 |
Product Name: |
4-Ethyl-2,3-dioxopiperazine-1-carbonyl Chloride |
CAS: |
59703-00-3 |
Synonyms: |
4-ethyl-2,3-dioxo-1-piperazinecarbonyl chloride; 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride |
IUPAC Name: | 4-ethyl-2,3-dioxopiperazine-1-carbonyl chloride |
Description: | 4-Ethyl-2,3-dioxo-1-piperazinecarbonyl Chloride is used as a reagent in the synthesis of amino(thienyl)benzamide derivatives which are used as histone deacetylase inhibitors and have antitumor activity. 4-Ethyl-2,3-dioxo-1-piperazinecarbonyl Chloride is also a reagent in the synthesis of Cefbuperazone ; a second-generation cephalosporin antibiotic. |
Molecular Weight: | 204.61 |
Molecular Formula: | C7H9ClN2O3 |
Canonical SMILES: | CCN1CCN(C(=O)C1=O)C(=O)Cl |
InChI: | InChI=1S/C7H9ClN2O3/c1-2-9-3-4-10(7(8)13)6(12)5(9)11/h2-4H2,1H3 |
InChI Key: | SXVBQOZRZIUHKU-UHFFFAOYSA-N |
Boiling Point: | 292.9 °C at 760 mmHg |
Purity: | > 95 % |
Density: | 1.408 g/cm3 |
LogP: | -0.08830 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112379012-A | High performance liquid chromatography determination method of 4-ethyl-2, 3-dioxopiperazinoyl chloride | 20201027 |
CN-111499584-A | Method for recycling mother liquor generated in production of 4-ethyl-2, 3-dioxopiperazine-1-formyl chloride | 20200529 |
WO-2021108023-A1 | Penicillin-binding protein inhibitors | 20191126 |
WO-2019226931-A1 | Penicillin-binding protein inhibitors | 20180525 |
CN-112469725-A | Penicillin binding protein inhibitors | 20180525 |
PMID | Publication Date | Title | Journal |
21202922 | 20080619 | (2S,3R)-2-[(4-Ethyl-2,3-dioxopiperazin-1-yl)carbonyl-amino]-3-hydroxy-butyric acid monohydrate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.0301698 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.0301698 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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