[2-(1,3-dioxan-2-yl)ethyl]triphenylphosphanium bromide

• ChemBase编号: 74858
• 分子式: C24H26BrO2P
• 平均质量: 457.339801
• 单一同位素质量: 456.0853787
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CCC1OCCCO1.[Br-]
• Canonical SMILES: C1COC(OC1)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
• InChI: InChI=1S/C24H26O2P.BrH/c1-4-11-21(12-5-1)27(22-13-6-2-7-14-22,23-15-8-3-9-16-23)20-17-24-25-18-10-19-26-24;/h1-9,11-16,24H,10,17-20H2;1H/q+1;/p-1
• InChIKey: XETDBHNHTOJWPZ-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: [2-(1,3-dioxan-2-yl)ethyl]triphenylphosphanium bromide
• IUPAC传统名: [2-(1,3-dioxan-2-yl)ethyl]triphenylphosphanium bromide
• 别名: [2-(1,3-二氧环-2-基)乙基]三苯基溴化膦; 2-(1,3-二氧己环-2-基)乙基三苯基溴化膦; [2-(1,3-Dioxan-2-yl)ethyl]triphenylphosphonium bromide; (2-(1,3-Dioxan-2-yl)ethyl)triphenylphosphonium bromide; [2-(1,3-Dioxan-2-yl)ethyl]triphenylphosphonium bromide; 2-(1,3-Dioxan-2-yl)ethyltriphenylphosphonium bromide

登记号

• CAS号: 69891-92-5
• EC号: 274-189-5
• MDL号: MFCD00012000
• Beilstein号: 4117571
• PubChem SID: 24866633; 162039776; 24853138
• PubChem CID: 2724168

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.018456
• LogD (pH = 7.4): 5.018456
• Log P: 5.018456
• 摩尔折射率: 111.394 cm^3
• 极化性: 44.21339 Å^3
• 极化表面积: 18.46 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 183-195°C; 193-195 °C(lit.)

安全信息

• 保存注意事项: Irritant/Moisture Sensitive/Store under inert gas; Moisture Sensitive
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26; 26-36
• TSCA收录: 否
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥98.0% (AT); 95+%; 98%; 98+%
• 级别: purum
• Empirical Formula (Hill Notation): C24H26BrO2P

详细说明

Sigma Aldrich - 219592

包装
5, 25 g in glass bottle
Application
Reactant for:
• Wittig olefination1

Sigma Aldrich - 42540

Other Notes
三碳同系化剂2,3
Application
Reactant for:
• Wittig olefination1

参考文献

• Building block for Wittig synthesis of acetalsof ?-unsaturated aldehydes: Synthesis, 132 (1979).