Oxamic Acid
Oxamate · 2-aMino-2-oxoacetic acid · Oxalamic acid · Oxamic acid Oxalic acid monoamide · OXAMIC ACID · OXAMIDIC ACID · OxamicAcid>Oxamicacid,98% · Glycine, 2-oxo-
식별자 및 물리적 특성
| CAS No. | 471-47-6 |
|---|---|
| 분자식 | C2H3NO3 |
| 평균 분자량 | 89.05 g/mol |
| 단동위원소 질량 | 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 |
화학 및 물리적 성질
| XLogP | -0.9 |
|---|---|
| 극성 표면적 | 80.4 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 6 |
| 형식 전하 | 0 |
| 복잡도 | 86.8 |
| 물질 분류 | Nitrogen Compounds -> Amino Carboxylic Acids |
| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Boiling point |
| 농약 | Pesticides -> Insect RepellentsEnvironmental transformation -> Pesticide transformation products (metabolite, successor) |
| 증기압 | 0.00000046 [mmHg] |
| Physical Description | Solid[Merck Index] White powder[Alfa Aesar MSDS] |
| 녹는점 | 207-210 °C (dec.) (lit.) |
| 끓는 점 | 165.08°C (rough estimate) |
| 밀도 | 1.6193 (rough estimate) |
| 굴절률 | 1.4264 (estimate) |
| 저장 조건 | 2-8°C(protect from light) |
| 용해도 | DMSO(약간 용해됨), 메탄올(약간 용해됨), 물(약간 용해됨) |
| 물리적 상태 | 결정성 분말 |
| pKa(산도 계수) | 1.60±0.20(Predicted) |
| 색상 | 하얀색 |
| 용해도 | 물 108mg/mL에 용해됩니다. |
| 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 |
| EPA | Oxamic acid (471-47-6) |
화학적 성질
Oxamic acid is a white, water-soluble solid. It is the monoamide ofoxalic acid. It can react with metal carbonates to form oxamate. Oxamic acid inhibits lactate dehydrogenase A.
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | Acetic acid, aminooxo-: Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | 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%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29241990 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
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.
용도
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.