三甲基硅烷基3,4,5-三[(三甲基硅烷基)氧基]苯甲酸酯 | 2078-17-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 三甲基硅烷基3,4,5-三[(三甲基硅烷基)氧基]苯甲酸酯
• 英文名称: 3,4,5-tris[(trimethylsilyl)-oxy]benzoic acid (trimethylsilyl) ester
• 英文别名: 3,4,5-tris(trimethylsiloxy)benzoic acid trimethylsilyl ester；benzoic acid,3,4,5-tris(trimethylsilyl)-trimethylsilyl ester；trimethylsilyl 3,4,5-tris[(trimethylsilyl)oxy]benzoate；pertrimethylsilylated gallic acid；gallic acid；tetra(TMS)gallic acid；trimethylsilyl 3,4,5-tris(trimethylsilyloxy)benzoate
• CAS: 2078-17-3
• 化学式: C₁₉H₃₈O₅Si₄
• 分子量: 458.85
• InChiKey: KCIFUQKNKZTHGI-UHFFFAOYSA-N

物化性质

• 保留指数：
  1976

计算性质

• 辛醇/水分配系数(LogP)：
  6.32
• 重原子数：
  28
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2931900090

反应信息

• 作为产物：
  描述：

  N,O-双三甲硅基乙酰胺 、 没食子酸 反应 1.0h， 生成 三甲基硅烷基3,4,5-三[(三甲基硅烷基)氧基]苯甲酸酯
  参考文献：
  名称：

  Schraml, Jan; Past, Jaan; Puskar, Jueri, Collection of Czechoslovak Chemical Communications, 1987, vol. 52, # 8, p. 1985 - 1991

  摘要：

  DOI：

文献信息

• P.M.R. Spectroscopy of Trimethylsilyl Derivatives of Hydroxy Acids
  作者：Guy Gordon Studdy Dutton、Norman Funnell、Kelly Blair Gibney

  DOI：10.1139/v72-616

  日期：1972.12.1

  P.m.r. spectroscopy at 60 MHz of trimethylsilyl ethers and esters, prepared from hydroxy acids, gives well resolved sharp singlets in the range τ 9.8–9.9, These signals may be used to determine the ratio of hydroxyl to carboxyl groups in a molecule. Measurements may be made directly on fractions isolated by gas–liquid chromatography. The influence of the solvent on the resolution is demonstrated.

  由羟基酸制备的三甲基甲硅烷基醚和酯在 60 MHz 下的 Pmr 光谱在 τ 9.8-9.9 范围内得到很好分辨的尖锐单峰。这些信号可用于确定分子中羟基与羧基的比率。可以直接对通过气液色谱分离的馏分进行测量。证明了溶剂对分辨率的影响。
• Henglein; Kraemer, Chemische Berichte, 1959, vol. 92, p. 2585,2589, 2591
  作者：Henglein、Kraemer

  DOI：——

  日期：——
• Characterization of Phenolic Compounds in Rooibos Tea
  作者：Nicole Krafczyk、Marcus A. Glomb

  DOI：10.1021/jf703701n

  日期：2008.5.1

  Polyphenols present in rooibos, a popular herbal tea from Aspalathus linearis, were isolated in two steps. First, phenolic ingredients were separated by multilayer countercurrent chromatography (MLCCC). Preparative high-performance liquid chromatography (HPLC) was then applied to obtain pure flavonoids. The purity and identity of isolated compounds was confirmed by different NMR experiments, HPLC-diode array detector (DAD), or gas chromatography-mass spectrometry (GCMS) analysis. This strategy proved to be valid to isolate material in up to gram quantities and to verify known and previously not published polyphenol structures. In addition the chemistry of dihydrochalcones and related intermediates was studied. The dihydrochalcone aspalathin was oxidized to the corresponding flavanone-C-glycosides ((R)/(S)-eriodictyol-6-C-beta-D-glucopyranoside and (R)/(S)-eriodictyol-8-C-beta-D-glucopyranoside). Flavanone-6-C-beta-D-glucopyranosides were further degraded to flavones isoorientin and orientin.
• Schraml, Jan; Past, Jaan; Puskar, Jueri, Collection of Czechoslovak Chemical Communications, 1987, vol. 52, # 8, p. 1985 - 1991
  作者：Schraml, Jan、Past, Jaan、Puskar, Jueri、Pehk, Tonis、Lippmaa, Endel、Brezny, Robert

  DOI：——

  日期：——

表征谱图