chloro(2,3-dimethylbutan-2-yl)dimethylsilane

• ChemBase编号: 149938
• 分子式: C8H19ClSi
• 平均质量: 178.77496
• 单一同位素质量: 178.09445482
• SMILES: CC(C)C(C)(C)[Si](C)(C)Cl
• Canonical SMILES: CC(C([Si](Cl)(C)C)(C)C)C
• InChI: InChI=1S/C8H19ClSi/c1-7(2)8(3,4)10(5,6)9/h7H,1-6H3
• InChIKey: KIGALSBMRYYLFJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: chloro(2,3-dimethylbutan-2-yl)dimethylsilane
• IUPAC传统名: chloro(2,3-dimethylbutan-2-yl)dimethylsilane
• 别名: 二甲基叔己基氯化硅; 二甲基-(2,3-二甲基-2-丁基)氯硅烷; 二甲基叔己基氯化硅; 氯二甲基(1,1,2-三甲基丙基)硅烷; 氯(二甲基)叔己基硅烷; Chlorodimethylthexylsilane; Dimethyl(2,3-dimethylbutyl)chlorosilane; Dimethylthexylchlorosilane; Dimethylthexylsilyl chloride; TDSCl; Thexyldimethylsilyl chloride; Chlorodimethyl(1,1,2-trimethylpropyl)silane; Dimethyl-(2,3-dimethyl-2-butyl)chlorosilane; Dimethyl-thexylchlorosilane; Chloro(dimethyl)thexylsilane

登记号

• CAS号: 67373-56-2
• MDL号: MFCD00012175
• Beilstein号: 3647960
• PubChem SID: 24858253; 162244100; 24889083; 24889084
• PubChem CID: 144239

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.6124
• LogD (pH = 7.4): 3.6124
• Log P: 3.6124
• 摩尔折射率: 46.1944 cm^3
• 极化性: 20.200396 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 14-15°C
• 沸点: 55-56 °C/10 mmHg(lit.); 55-56°C/10mm
• 闪点: 114.8 °F; 46 °C; 51°C(124°F)
• 密度: 0.909 g/mL at 25 °C(lit.); 0.911
• 折射率: 1.4500; n20/D 1.449(lit.); n20/D 1.450

安全信息

• 保存注意事项: Moisture Sensitive
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 2986; UN2986
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 10-34; 10-34-37
• 安全公开号: 23-26-36/37/39-45; 26-36/37/39-45
• TSCA收录: 否
• GHS危险品标识: GHS02; GHS05
• GHS警示词: Danger
• GHS危险声明: H226-H314; H314-H318-H226
• GHS警示性声明: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P305 + P351 + P338-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2986 8/PG 2

产品相关信息

• 纯度: ≥97.0% (GC); ≥99.0% (GC); 95%
• 级别: puriss.; purum
• 线性分子式: (CH3)2CHC(CH3)2Si(CH3)2Cl

详细说明

Sigma Aldrich - 302449

包装
5, 25, 100 g in glass bottle
Application
醇和其他官能团的保护试剂。1,2用于合成硅萘酞菁3和环糊精衍生物，4他们可分别作为抗癌染料和手性固定相。

Sigma Aldrich - 88330

Other Notes
基团保护试剂，与叔丁基二甲基氯硅烷相比有某些优势（较便宜、液态、更稳定）1,2,3

参考文献

• Reagent for the introduction, in the presence of a base such as triethylamine or imidazole in DMF, of the thexyldimethylsilyl (TDS) group for protection of hydroxyl functions. The greater steric hindrance of the TDS group compared with TBDMS confers greater (at least 2-3x) stability to acid or base hydrolysis. Cleavage with F^- is also about 2-3x slower than for TBDMS: Tetrahedron Lett., 26, 5511 (1985); 32, 2135 (1991). TDS is also an extremely useful protecting group for nitrogen functions, providing readily purifiable derivatives which survive a variety of chemical transformations, but are readily cleaved by F^-: Tetrahedron Lett., 26, 5515 (1985); J. Chem. Soc., Perkin 1, 423 (1998).