1-ethylpiperidine

• ChemBase编号: 149411
• 分子式: C7H15N
• 平均质量: 113.2007
• 单一同位素质量: 113.12044949
• SMILES: CCN1CCCCC1
• Canonical SMILES: CCN1CCCCC1
• InChI: InChI=1S/C7H15N/c1-2-8-6-4-3-5-7-8/h2-7H2,1H3
• InChIKey: HTLZVHNRZJPSMI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-ethylpiperidine
• IUPAC传统名: N-ethylpiperidine
• 别名: N-乙基哌啶; 1-乙基哌啶; N-Ethylpiperidine; NSC 2090; 1-Ethylpiperidine

登记号

• CAS号: 766-09-6
• EC号: 212-161-6
• MDL号: MFCD00006507
• Beilstein号: 102643
• PubChem SID: 162243576; 24845773; 24894564
• PubChem CID: 13007

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -2.0680737
• LogD (pH = 7.4): -1.2094212
• Log P: 1.3973435
• 摩尔折射率: 36.8787 cm^3
• 极化性: 14.445701 Å^3
• 极化表面积: 3.24 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: -20°C
• 沸点: 129-131°C; 131 °C(lit.)
• 闪点: 17 °C; 18°C(64°F); 62.6 °F
• 密度: 0.824 g/mL at 25 °C(lit.); 0.825
• 折射率: 1.4440; n20/D 1.444; n20/D 1.444(lit.)

安全信息

• RTECS编号: TN0250000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 易燃性(Flammable) (F); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2386; UN2386
• 德国WGK号: 1
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 11-20/22-36/37/38; 11-34
• 安全公开号: 26-36/37/39; 7-20-26-33-36/37/39-45-60
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H225-H302 + H332-H315-H319-H335; H225-H314-H318
• GHS警示性声明: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P261-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2386 3/PG 2

产品相关信息

• 纯度: ≥98.0% (GC); 99%
• 级别: purum
• Empirical Formula (Hill Notation): C7H15N

详细说明

Sigma Aldrich - E45708

包装
100, 500 mL in glass bottle
Application
Reactant for: Synthesis of multiprotected kanosamine1 Selective acylation in peptide synthesis2Reagent for: Stereoselective aldol condensation reactions for synthesis of β-lactam antibiotics3 Diastereoselective synthesis of aldols4 Crossed Claisen ester condensation5

参考文献

• Hindered, non-nucleophilic base. Preferred base for enantioselective crossed aldol condensations of Sn enolates: Tetrahedron, 40, 1381 (1984). Also found to give excellent results in the formation of anhydrides using Bis(2-oxo-3-oxazolidinyl)phosphinic chloride, L08775: Synthesis, 616 (1981). Has been used in peptide synthesis via pivaloyl mixed anhydrides: Coll. Czech. Chem. Commun., 27, 1273 (1962).