4-ピペリドン
γ-ピペリドン · ピペリジン-4-オン · 4-ピペリドン · 4-ピペリジノン · Piperidin-4-one · 4-PIPERIDONE · 4-Oxopiperidine · 4-piperidin
識別子と物理属性
| CAS No. | 41661-47-6 |
|---|---|
| 分子式 | C5H9NO |
| 平均分子量 | 99.13 g/mol |
| 単同位体質量 | 99.06841391 g/mol |
| SMILES | O=C1CCNCC1 |
| InChIKey | VRJHQPZVIGNGMX-UHFFFAOYSA-N |
| PubChem CID | 33721 |
| EC No. | 255-481-1 |
| DTXSID | DTXSID50194488 |
| 現地名 | 4-ピペリドン |
化学・物理的性質
| XLogP | -0.7 |
|---|---|
| 極性表面積 | 29.1 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 0 |
| 重原子数 | 7 |
| 形式電荷 | 0 |
| 複雑度 | 72 |
| 沸点 | 175.1±15.0 °C(Predicted) |
| 密度 | 1.001±0.06 g/cm3(Predicted) |
| pKa（酸解離定数） | 8.95±0.20(Predicted) |
| 外観・状態 | solid |
| 色 | yellow |
| CAS データベース | 41661-47-6(CAS DataBase Reference) |
安全性と法規制
| GHS 分類 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| 規制情報 | List I Chemical: A chemical specified by regulation that, in addition to legitimate uses, is used in manufacturing a controlled substance in violation of the Act and is important to the manufacture of a controlled substance. (21 eCFR 1310.02) |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%) |
| 輸送番号（UN） | 1993 |
| 税関コード | 2914390090 |
| 危険文句（R） | 11-20/21/22 |
| 安全措置（S） | 16-26-36/37/39 |
| 危険等級 | IRRITANT |
用途
説明
4-Piperidinone is a derivative of piperidine with the molecular formula C5H9NO. 4-Piperidone is used as an intermediate in the manufacture of chemicals and pharmaceutical drugs.Piperidones are a class of chemical compounds sharing the piperidone skeleton. A classic named reaction for the synthesis of piperidones is the Petrenko-Kritschenko piperidone synthesis which involves combining an alkyl-1,3-acetonedicarboxylate with benzaldehyde and an amine. This multicomponent reaction is related to the Hantzsch pyridine synthesis.
使用
4-Piperidone monohydrate hydrochloride was used in the generation of compound libraries based on sub-reactions of an Ugi multicomponent reaction (MCR).