ol

• ChemBase编号: 147822
• 分子式: C11H21N2O2
• 平均质量: 213.29664
• 单一同位素质量: 213.16030292
• SMILES: CC(=O)NC1CC(N(C(C1)(C)C)[O])(C)C
• Canonical SMILES: [O]N1C(C)(C)CC(CC1(C)C)NC(=O)C
• InChI: InChI=1S/C11H21N2O2/c1-8(14)12-9-6-10(2,3)13(15)11(4,5)7-9/h9H,6-7H2,1-5H3,(H,12,14)
• InChIKey: UXBLSWOMIHTQPH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ol
• IUPAC传统名: tyrosine(.)
• 别名: 4-乙酰氨-2,2,6,6-四甲基哌啶-1-氧; 4-乙酰氨-2,2,6,6-四甲基哌啶-1-氧，自由基; 4-乙酰胺基, 自由基; 4-乙酰氨-2,2,6,6-四甲基哌啶-1-氧; 4-Acetamido-2,2,6,6-tetramethylpiperidine 1-oxyl; 4-Acetamido-TEMPO, free radical; 4-Acetamido-2,2,6,6-tetramethyl-1-piperidinyloxy, free radical; 4-Acetamido-2,2,6,6-tetramethylpiperidine 1-oxyl

登记号

• CAS号: 14691-89-5
• EC号: 423-840-3
• MDL号: MFCD00043593
• Beilstein号: 3546225
• PubChem SID: 24864140; 162242005; 24845016
• PubChem CID: 518988

理论计算性质

• Acid pKa: 15.998419
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -0.065413184
• LogD (pH = 7.4): -0.0654131
• Log P: -0.0654131
• 摩尔折射率: 58.2759 cm^3
• 极化性: 23.198305 Å^3
• 极化表面积: 32.34 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 143-145 °C(lit.); 143-146 °C; 143-146°C

安全信息

• 欧盟危险性物质标志: X; 有害性(Harmful) (Xn)
• 德国WGK号: 1
• 危险公开号: 22
• 安全公开号: 22
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302
• GHS警示性声明: P264-P270-P301+P312-P330-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥98.0% (HPLC); 98%; 98+%
• 级别: purum
• Empirical Formula (Hill Notation): C11H21N2O2

详细说明

Sigma Aldrich - 390380

包装
5, 25, 100 g in glass bottle
Application
在 TsOH 存在的条件下将醇氧化为羰基化合物。1

Sigma Aldrich - 00375

Other Notes
将醇轻度氧化成羰基的新型氧化剂1

参考文献

• In the presence of an acid disproportionates to the oxoammonium salt, a highly selective reagent for alcohol oxidation. For a review of oxoammonium (nitrosonium) salts, see: Heterocycles, 27, 509 (1988); for a brief feature on oxoammonium salts, see: Synlett, 1757 (2003). In combination with tosic acid, oxidizes alcohols to aldehydes and ketones: J. Org. Chem.,56, 6110 (1991). For oxidation of diols to ɑ-dicarbonyl compounds, see: J. Org. Chem., 59, 6338 (1994). Review of the use of stable nitroxyl radicals for the oxidation of primary and secondary alcohols: Synthesis, 1153 (1996) Cf also 4-Hydroxy-TEMPO, A12497, and TEMPO, A12733. .