4',7-di-O-trimethylsilyloxyisoflavone | 4234-02-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 4',7-di-O-trimethylsilyloxyisoflavone
• 英文别名: Daidzein 2tms；7-trimethylsilyloxy-3-(4-trimethylsilyloxyphenyl)chromen-4-one
• CAS: 4234-02-0
• 化学式: C₂₁H₂₆O₄Si₂
• 分子量: 398.606
• InChiKey: OTTQJFPQFUCPEZ-UHFFFAOYSA-N

物化性质

• 沸点：
  432.7±45.0 °C(Predicted)
• 密度：
  1.092±0.06 g/cm3(Predicted)
• 保留指数：
  2929

计算性质

• 辛醇/水分配系数(LogP)：
  5.89
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4',7-di-O-trimethylsilyloxyisoflavone 在 三氟化硼乙醚 、 sodium methylate 作用下， 以 甲醇 、 苯 为溶剂， 反应 3.0h， 生成 daidzein 4'-O-α-L-rhamnopyranoside
  参考文献：
  名称：

  Nishiyama, Kiyotoshi; Esaki, Sachiko; Deguchi, Ikuko, Bioscience, Biotechnology and Biochemistry, 1993, vol. 57, # 1, p. 107 - 114

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-3,3-dimethoxypropan-1-one 在 吡啶 、 盐酸 、 六甲基二硅氮烷 作用下， 以 甲醇 为溶剂， 反应 2.5h， 生成 4',7-di-O-trimethylsilyloxyisoflavone
  参考文献：
  名称：

  Nishiyama, Kiyotoshi; Esaki, Sachiko; Deguchi, Ikuko, Bioscience, Biotechnology and Biochemistry, 1993, vol. 57, # 1, p. 107 - 114

  摘要：

  DOI：

文献信息

• Development of a Simple Method for the Determination of Genistein, Daidzein, Biochanin A, and Formononetin (Biochanin B) in Human Urine
  作者：Jozef Tekeł、Els Daeseleire、An Heeremans、Carlos van Peteghem

  DOI：10.1021/jf990159z

  日期：1999.9.1

  A simple method was developed for the determination of free and/or total isoflavones daidzein, genistein, and their respective 4'-methoxy derivatives biochanin A and formononetin (biochanin B) at low levels in human urine. A solid-phase extraction on octadecyl silica (C(18)) columns was used for the isolation of the phytoestrogens from the matrix. An extraction on a ChemElut 1010 column connected on-line to a Florisil cartridge by a Teflon stopcock was used for effective eluate purification. A mixture of dichloromethane and ethyl acetate was used for elution of the isoflavones from the columns in tandem. The isoflavones were determined as trimethylsilyl (TMS) ethers using GC/MS-SIM after separation on an HP-5MS fused silica column. TMS ethers were obtained by using BSTFA containing 1% of TMCS. For the determination of free isoflavones 6-hydroxyflavone was used as internal standard, whereas robigenin was used in the case of total isoflavone determination. Recoveries for free isoflavones under study varied from 63.5 to 89.6% at the 25 ng mL(-)(1) level and from 63.5 to 89. 2% at the 5 ng mL(-)(1) level in urine. Analytical curves were linear between 5 and 25 ng mL(-)(1). Detection limits varied from 1 ng mL(-)(1) for formononetin to 2.3 ng mL(-)(1) for daidzein. Recoveries for total isoflavone determination after enzymatic hydrolysis with glucuronidase from Helix pomatia ranged from 56.5 to 77.1% at the 25 ng mL(-1) level.
• CREASER, COLIN S.;KOUPAI-ABYAZANI, MOHAMMED R.;STEPHENSON, G. RICHARD, J. CHROMATOGR., 478,(1989) N, C. 415-421
  作者：CREASER, COLIN S.、KOUPAI-ABYAZANI, MOHAMMED R.、STEPHENSON, G. RICHARD

  DOI：——

  日期：——
• Nishiyama, Kiyotoshi; Esaki, Sachiko; Deguchi, Ikuko, Bioscience, Biotechnology and Biochemistry, 1993, vol. 57, # 1, p. 107 - 114
  作者：Nishiyama, Kiyotoshi、Esaki, Sachiko、Deguchi, Ikuko、Sugiyama, Naoko、Kamiya, Shintaro

  DOI：——

  日期：——