甲基2,3-二[(三甲基硅烷基)氧基]苯甲酸酯 | 27798-54-5

• 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: 甲基2,3-二[(三甲基硅烷基)氧基]苯甲酸酯
• 英文名称: Benzoic acid, 2,3-bis(trimethylsiloxy)-, methyl ester
• 英文别名: methyl 2,3-bis(trimethylsilyloxy)benzoate
• CAS: 27798-54-5
• 化学式: C₁₄H₂₄O₄Si₂
• 分子量: 312.513
• InChiKey: YTNUDLUPODYNPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2931900090

反应信息

• 作为产物：
  描述：

  苯甲酸,二羟基- 在 盐酸 作用下， 反应 16.0h， 生成 甲基2,3-二[(三甲基硅烷基)氧基]苯甲酸酯
  参考文献：
  名称：

  Metabolic pathways of 4-[(3-methoxyphenyl)methyl]- 2,2,6,6-tetramethyl-l-oxa-4-aza-2,6-disilacyclohexane (MPSC) hydrochloride, a silicon-containing xenobiotic, in rat, dog, and man

  摘要：

  1. The metabolic pathways of Sandoz compound 58-112, 4-[(3-methyoxyphenyl)methyl]-2,2,6,6-tetramethyl-1-oxa-4-aza-2,6-disilacyclohexane (MPSC) hydrochloride were evaluated in rat, dog, and man after a single oral dose.2. In rat, dog and man the major route of elimination was renal. In the dog, renal excretion of unchanged MPSC represented a substantial portion of the dose whereas in rat and man MPSC was completely metabolized prior to excretion.3. In rat and man, the major end-product metabolite was 3'-[{(hydroxydimethylsilyl)methylamino}methyl]-phenol glucuronide; 4-[(3-hydroxyphenyl)-methyl]-2,2,6,6-tetramethyl-1-oxa-4-aza-2,6-disilacyclohexane and 4-[(4-hydroxy-3-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-1-oxa-4-aza-2,6-disilacyclohexane and their conjugates were also present. In dog, the major end-product metabolites were the hippurate of 3-methoxybenzoic acid and 3-hydroxybenzoic acid.

  DOI：

  10.3109/00498259509046666

文献信息

• Metabolic pathways of 4-[(3-methoxyphenyl)methyl]- 2,2,6,6-tetramethyl-l-oxa-4-aza-2,6-disilacyclohexane (MPSC) hydrochloride, a silicon-containing xenobiotic, in rat, dog, and man
  作者：J. G. Dain、J. Nicoletti

  DOI：10.3109/00498259509046666

  日期：1995.1

  1. The metabolic pathways of Sandoz compound 58-112, 4-[(3-methyoxyphenyl)methyl]-2,2,6,6-tetramethyl-1-oxa-4-aza-2,6-disilacyclohexane (MPSC) hydrochloride were evaluated in rat, dog, and man after a single oral dose.2. In rat, dog and man the major route of elimination was renal. In the dog, renal excretion of unchanged MPSC represented a substantial portion of the dose whereas in rat and man MPSC was completely metabolized prior to excretion.3. In rat and man, the major end-product metabolite was 3'-[(hydroxydimethylsilyl)methylamino}methyl]-phenol glucuronide; 4-[(3-hydroxyphenyl)-methyl]-2,2,6,6-tetramethyl-1-oxa-4-aza-2,6-disilacyclohexane and 4-[(4-hydroxy-3-methoxyphenyl)methyl]-2,2,6,6-tetramethyl-1-oxa-4-aza-2,6-disilacyclohexane and their conjugates were also present. In dog, the major end-product metabolites were the hippurate of 3-methoxybenzoic acid and 3-hydroxybenzoic acid.