tris(2,6-dimethoxyphenyl)phosphane

• ChemBase编号: 145259
• 分子式: C24H27O6P
• 平均质量: 442.441341
• 单一同位素质量: 442.15452521
• SMILES: COc1cccc(c1P(c1c(cccc1OC)OC)c1c(cccc1OC)OC)OC
• Canonical SMILES: COc1cccc(c1P(c1c(OC)cccc1OC)c1c(OC)cccc1OC)OC
• InChI: InChI=1S/C24H27O6P/c1-25-16-10-7-11-17(26-2)22(16)31(23-18(27-3)12-8-13-19(23)28-4)24-20(29-5)14-9-15-21(24)30-6/h7-15H,1-6H3
• InChIKey: CMLWFCUAXGSMBB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tris(2,6-dimethoxyphenyl)phosphane
• IUPAC传统名: tris(2,6-dimethoxyphenyl)phosphane
• 别名: 三(2,6-二甲氧基苯)膦; 三(2,6-二甲氧基苯基)磷; DMPP; Tris(2,6-dimethoxyphenyl)phosphine; TDMPP

登记号

• CAS号: 85417-41-0
• EC号: 000-000-0
• MDL号: MFCD00192558
• PubChem SID: 162239467; 24864518
• PubChem CID: 2734597

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 3.5904
• LogD (pH = 7.4): 3.5904
• Log P: 3.5904
• 摩尔折射率: 120.4021 cm^3
• 极化性: 47.338394 Å^3
• 极化表面积: 55.38 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 145-147 °C(lit.); 145-147°C

安全信息

• 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: 98%
• 线性分子式: [(CH3O)2C6H3]3P

详细说明

Sigma Aldrich - 393436

包装
5 g in glass bottle
Application
Catalyst for:
• Preparation of chiral building blocks via hydroalkynylation reactions or ynolates1
• Three-component aza-Morita-Baylis-Hillman reactions (aza-MBH)2
• Atom-economic synthesis of nitrogen heterocycles and ynenoates from alkynes3
• Oxycylizations of allendiols4
• Enantioselective aldol reactions5
• Pd-mediated cross-coupling, Pd- and Cu-mediated benzannulation reactions and copper-mediated dimerization reactions6

参考文献

• Preferred ligand employed by Trost in directed tandem Pd-catalyzed reactions as an approach to furans and butenolides: J. Am. Chem. Soc., 117, 7255 (1995).