tris(2-methylphenyl)phosphane

• ChemBase编号: 70200
• 分子式: C21H21P
• 平均质量: 304.365201
• 单一同位素质量: 304.1380873
• SMILES: P(c1c(cccc1)C)(c1c(cccc1)C)c1c(cccc1)C
• Canonical SMILES: Cc1ccccc1P(c1ccccc1C)c1ccccc1C
• InChI: InChI=1S/C21H21P/c1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3/h4-15H,1-3H3
• InChIKey: COIOYMYWGDAQPM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tris(2-methylphenyl)phosphane
• IUPAC传统名: tris(2-methylphenyl)phosphane
• 别名: 三(2-甲苯基)膦; 三(邻甲基苯基)膦; 三(邻甲苯)膦; Tri(o-tolyl)phosphine; tri(2-methylphenyl)phosphine; P(o-tol)3; Tri(o-tolyl)phosphine; Tris(o-tolyl)phosphine; Tris(2-methylphenyl)phosphine; tris(2-methylphenyl)phosphane; Tris(2-methylphenyl)phosphine

登记号

• CAS号: 6163-58-2
• EC号: 228-193-9
• MDL号: MFCD00008514
• Beilstein号: 661212
• PubChem SID: 162035923; 24889878; 24857295
• PubChem CID: 80271

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.5082
• LogD (pH = 7.4): 6.5082
• Log P: 6.5082
• 摩尔折射率: 96.7465 cm^3
• 极化性: 37.639748 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 122-127°C; 123-125 °C; 123-125 °C(lit.); 124-126°C; 128 - 129°C
• 疏水性(logP): 7.182
• 作为配体的用途: Buchwald-Hartwig Cross Coupling Reaction; Heck Reaction; Negishi Coupling; Stille Coupling; Suzuki-Miyaura Coupling

安全信息

• 保存注意事项: IRRITANT; Irritant
• 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: 26-36; 26-37
• TSCA收录: false; 是
• 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: ≥97.0% (GC); 95%; 95+%; 97%; 98%; 98+%
• 级别: purum
• 线性分子式: (CH3C6H4)3P
• Catalyst for: Silylations

详细说明

Sigma Aldrich - 287822

Application
用于钌催化下醇直接胺化的配体。1
包装
1, 10 g in glass bottle

参考文献

• Preferred phosphine ligand for use in combination with Pd salts in the Heck-type coupling reactions of vinylic halides. For examples, see Palladium(II) acetate, 10516. For a review of the Heck reaction, see: Org. React., 27, 345 (1982).
• The Pd-catalyzed amination of bromoarenes with 1-Boc-piperazine, L13363, in the presence of this ligand, provides a route to arylpiperazines of potential pharmacological interest: Tetrahedron Lett., 39, 2219 (1998).