dimethyl [(trimethylsilyl)methyl]phosphonate

• ChemBase编号: 138136
• 分子式: C6H17O3PSi
• 平均质量: 196.256641
• 单一同位素质量: 196.06845757
• SMILES: COP(=O)(C[Si](C)(C)C)OC
• Canonical SMILES: COP(=O)(C[Si](C)(C)C)OC
• InChI: InChI=1S/C6H17O3PSi/c1-8-10(7,9-2)6-11(3,4)5/h6H2,1-5H3
• InChIKey: QBHFBIHXALNDCB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: dimethyl [(trimethylsilyl)methyl]phosphonate
• IUPAC传统名: dimethyl (trimethylsilyl)methylphosphonate
• 别名: 三甲硅基甲基膦酸二甲酯; [(Trimethylsilyl)methyl]-phosphonic acid dimethyl ester; Dimethyl trimethylsilylmethylphosphonate

登记号

• CAS号: 13433-42-6
• MDL号: MFCD00042921
• Beilstein号: 2412153
• PubChem SID: 24889711; 162232394
• PubChem CID: 4305701

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.2125
• LogD (pH = 7.4): 2.2125
• Log P: 2.2125
• 摩尔折射率: 41.6377 cm^3
• 极化性: 19.446962 Å^3
• 极化表面积: 35.53 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 111-114 °C/21.5 mmHg(lit.); 90-95°C/10mm
• 闪点: 159.8 °F; 71 °C; 76°C(169°F)
• 密度: 1.024; 1.024 g/mL at 25 °C(lit.)
• 折射率: 1.435; n20/D 1.435; n20/D 1.435(lit.)

安全信息

• 保存注意事项: 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; 36/38
• 安全公开号: 26-36; 26-37
• TSCA收录: 否
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H227; H315-H319-H335
• GHS警示性声明: P210-P305+P351+P338-P302+P352-P321-P403+P235-P501A; P261-P305 + P351 + P338
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: ≥97.0%; 96%; 97%
• 线性分子式: (CH3)3SiCH2P(O)(OCH3)2

详细说明

Sigma Aldrich - 92750

Other Notes
用于制备烯属糖膦酸酯的试剂6；用于羰基化合物的直接亚甲基化作用7
包装
1 mL in glass bottle
Application
Reactant for:
• Synthesis of phosphonato-phosphine palladacycles1
• Studying the synthetic applications of phosphoryl-stabilized anions2
• Peterson olefination reactions3
• Dilithiation4,5 and transmetalation4

Sigma Aldrich - 375993

Application
Reactant for:
• Synthesis of phosphonato-phosphine palladacycles1
• Studying the synthetic applications of phosphoryl-stabilized anions2
• Peterson olefination reactions3
• Dilithiation4,5 and transmetalation4