triphenyl(propan-2-yl)phosphanium iodide

• ChemBase编号: 80773
• 分子式: C21H22IP
• 平均质量: 432.277611
• 单一同位素质量: 432.05038533
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)C(C)C.[I-]
• Canonical SMILES: CC([P+](c1ccccc1)(c1ccccc1)c1ccccc1)C.[I-]
• InChI: InChI=1S/C21H22P.HI/c1-18(2)22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-18H,1-2H3;1H/q+1;/p-1
• InChIKey: HHBXWXJLQYJJBW-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: triphenyl(propan-2-yl)phosphanium iodide
• IUPAC传统名: isopropyltriphenylphosphanium iodide
• 别名: 碘化异丙基三苯膦; 异丙基三苯碘化磷鎓; (1-Methylethyl)triphenylphosphonium iodide; NSC 140615; Isopropyltriphenylphosphonium iodide; (2-Propyl)triphenylphosphonium iodide; ISOPROPYLTRIPHENYLPHOSPHONIUM IODIDE; Isopropyltris(phenyl)phosphonium iodide

登记号

• CAS号: 24470-78-8
• EC号: 246-281-5
• MDL号: MFCD00031595
• Beilstein号: 3599629
• PubChem SID: 162067893; 24863508
• PubChem CID: 2723783

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.297396
• LogD (pH = 7.4): 5.297396
• Log P: 5.297396
• 摩尔折射率: 96.4378 cm^3
• 极化性: 38.127544 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 194-197 °C(lit.); 194-198°C; 195-198°C

安全信息

• 保存注意事项: Irritant/Light Sensitive/Hygroscopic/Keep Cold; Light Sensitive & Hygroscopic
• 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: 26-37; 26-37/39
• 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: 95+%; 98%; 98+%
• 线性分子式: (CH3)2CHP(C6H5)3I

详细说明

MP Biomedicals - 05216347

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 377481

包装
25 g in glass bottle
Application
Reactant for:
• Total synthesis of heliananes
• Preparation of highly substituted benzene derivatives
• Synthesis of curcuphenol and elvirol analogs via a retro-aldol reaction as fungicidal agents
• 4-substituted methoxylbenzoyl-aryl-thiazoles analogues as potent and orally bioavailable anticancer agents
• Wittig reaction
用于 Wittig1,2 和环丙烷化反应。2,3

参考文献

• Useful precursor of isopropylidene unit by Wittig reaction with aldehydes: J. Am. Chem. Soc., 103, 2823 (1981), and ketones: J. Org. Chem., 53, 3877 (1988).
• The derived phosphorane can also add to activated double bonds to give gem-dimethyl cyclopropanes: Tetrahedron Lett., 3781 (1972). For use of tandem cyclopropanation and Wittig olefination in a synthesis of chrysanthemic acid, see: Tetrahedron Lett., 3911 (1976):