Oxamidsure
Oxamate · 2-aMino-2-oxoacetic acid · Oxalamic acid · Oxamic acid Oxalic acid monoamide · OXAMIC ACID · OXAMIDIC ACID · OxamicAcid>Oxamicacid,98% · Glycine, 2-oxo-
Identifikatoren & physikalische Daten
| CAS No. | 471-47-6 |
|---|---|
| Summenformel | C2H3NO3 |
| Durchschnittliche Molmasse | 89,05 g/mol |
| Monoisotopische Masse | 89,01129296 g/mol |
| SMILES | NC(=O)C(=O)O |
| InChIKey | SOWBFZRMHSNYGE-UHFFFAOYSA-N |
| PubChem CID | 974 |
| ChEMBL | CHEMBL15976 |
| ChEBI | CHEBI:18058 |
| EC No. | 207-443-0 |
| DTXSID | DTXSID6060052 |
| Lokaler Name | Oxamidsure |
Chemische & physikalische Eigenschaften
| XLogP | -0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 80,4 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 86,8 |
| Stoffklassen | Nitrogen Compounds -> Amino Carboxylic Acids |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Boiling point |
| Pestizide | Pesticides -> Insect RepellentsEnvironmental transformation -> Pesticide transformation products (metabolite, successor) |
| Dampfdruck | 0.00000046 [mmHg] |
| Physical Description | Solid[Merck Index] White powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 207-210 °C (dec.) (lit.) |
| Siedepunkt | 165.08°C (rough estimate) |
| Dichte | 1.6193 (rough estimate) |
| Brechungsindex | 1.4264 (estimate) |
| Lagerbedingungen | 2-8°C(protect from light) |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly), Water (Slightly)Soluble in water 108 mg/mL. |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 1.60±0.20(Predicted) |
| Farbe | White |
| Merck | 14,6917 |
| BRN | 1743294 |
| InChI | InChI=1S/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6) |
| InChIKey | SOWBFZRMHSNYGE-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C(N)=O |
| CAS Datenbank | 471-47-6(CAS DataBase Reference) |
| EPA chemische Informationen | Oxamic acid (471-47-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Acetic acid, aminooxo-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | See Oxamic acid.A skin and strong eye irritant[Alfa Aesar MSDS] See Oxamide. See Acetic acid. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29241990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
Oxamic acids also known to as oxalic acid monoamides have emerged as potent precursors for the generation of the carbamoyl radical. Oxamic acids can easily undergo decarboxylation through a single electron oxidation resulting in the generation of the reactive carbamoyl radical, which can then engage in diverse radical reactions or undergo a second single electron oxidation as originally unveiled by Minisci. Oxamic acids are thus versatile intermediates for the synthesis of nitrogen-containing organic molecules[1]. The oxidative decarboxylation of oxamic acids can be mediated through thermal, photochemical, electrochemical or photoelectrochemical means, generating carbamoyl radicals, which may further add to unsaturated systems to provide a broad range of important amides. Oxidative decarboxylation of oxamic acids also offers a straightforward entry for the preparation of urethanes, ureas, and thioureas.
Verwenden
Oxamic acid is an ozone oxidation product and is used in the synthesis of hydroxybenzimidazoles preparation as potential anti tumor agents targeting human lactate dehydrogenase A.This compound is suitable for lactate dehydrogenase (LDH) related research.