tributylstannylium methanolate

• ChemBase编号: 295283
• 分子式: C13H30OSn
• 平均质量: 321.0777
• 单一同位素质量: 322.13185958
• SMILES: CCCC[Sn+](CCCC)CCCC.C[O-]
• Canonical SMILES: CCCC[Sn+](CCCC)CCCC.C[O-]
• InChI: InChI=1S/3C4H9.CH3O.Sn/c3*1-3-4-2;1-2;/h3*1,3-4H2,2H3;1H3;/q;;;-1;+1
• InChIKey: KJGLZJQPMKQFIK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tributylstannylium methanolate
• IUPAC传统名: methoxide; tributylstannylium
• 别名: 三正丁基甲氧基锡; Methoxytri-n-butylstannane; Tri-n-butyltin methoxide

登记号

• CAS号: 1067-52-3
• EC号: 213-933-5
• MDL号: MFCD00009419
• Beilstein号: 3600960
• PubChem SID: 180680814
• PubChem CID: 11964040

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.5287
• LogD (pH = 7.4): 3.5287
• Log P: 3.5287
• 摩尔折射率: 58.4157 cm^3
• 极化性: 27.806976 Å^3
• 极化表面积: 0.0 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

• 沸点: 124-126°C/4mm
• 闪点: 98°C(208°F)
• 密度: 1.120
• 折射率: 1.4740

安全信息

• 保存注意事项: Moisture Sensitive
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有毒(Toxic) (T)
• 联合国危险货物编号: UN2788
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): III
• 危险公开号: 21-25-36/38-48/23/25-50/53
• 安全公开号: 26-36/37-45-57
• TSCA收录: 否
• GHS危险品标识: GHS06; GHS08; GHS09
• GHS危险声明: H301-H312-H315-H319-H372-H400-H410
• GHS警示性声明: P260-P301+P310-P305+P351+P338-P302+P352-P405-P501A

产品相关信息

• 纯度: 97%

参考文献

• Catalyst for transesterification under neutral conditions: Bull. Soc. Chim. Fr., 262 (1969).
• Similarly, 4-halo alcohols give tetrahydrofurans: J. Organomet. Chem., 50, 121 (1973).
• For a review of organotin alkoxides in organic synthesis, see: Synthesis, 56, (1969).
• Reacts with alcohols, by exchange, to give tri-n-butylstannyl ethers. Those derived from 3-halo alcohols cyclize on heating to give substituted oxetanes: J. Organomet. Chem., 47, 337 (1973):
  
• Enol acetates are converted to tin enolates which can undergo Pd-catalyzed coupling with aryl bromides to give arylacetones: Chem. Lett., 939 (1982); J. Chem. Soc., Chem. Commun., 344 (1983), and with vinyl bromides to give ?-unsaturated ketones: Bull. Chem. Soc. Jpn., 57, 242 (1984).