S-benzyl 3-methyl-3-[(2,4,6-trimethoxyphenyl)methylsulfanyl]butanethioate | 474649-59-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: S-benzyl 3-methyl-3-[(2,4,6-trimethoxyphenyl)methylsulfanyl]butanethioate
• CAS: 474649-59-7
• 化学式: C₂₂H₂₈O₄S₂
• 分子量: 420.594
• InChiKey: AFWLKOOTVMBACC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  28
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  95.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  S-benzyl 3-methyl-3-[(2,4,6-trimethoxyphenyl)methylsulfanyl]butanethioate 在 L-半胱氨酸 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.17h， 以70%的产率得到3-Mercapto-3-methyl-thiobutyric acid S-benzyl ester
  参考文献：
  名称：

  l-Cysteine as a water-soluble cation scavenger in the removal of the 2,4,6-trimethoxybenzyl group from thiols

  摘要：

  L-Cysteine was used as a water-soluble cation scavenger in the acid-catalyzed removal of the 2,4,6-trimethoxybenzyl (Tmob) group from thiols. After aqueous extraction, the product thiols were isolated in good yields. For most substrates, trifluoroacetic acid (TFA) is the reagent of choice. However, for the deprotection of acid-sensitive compounds, formic acid with an extended reaction time is appropriate. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00808-0
• 作为产物：
  描述：

  2,4,6-三甲氧基苯乙醇 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成 S-benzyl 3-methyl-3-[(2,4,6-trimethoxyphenyl)methylsulfanyl]butanethioate
  参考文献：
  名称：

  l-Cysteine as a water-soluble cation scavenger in the removal of the 2,4,6-trimethoxybenzyl group from thiols

  摘要：

  L-Cysteine was used as a water-soluble cation scavenger in the acid-catalyzed removal of the 2,4,6-trimethoxybenzyl (Tmob) group from thiols. After aqueous extraction, the product thiols were isolated in good yields. For most substrates, trifluoroacetic acid (TFA) is the reagent of choice. However, for the deprotection of acid-sensitive compounds, formic acid with an extended reaction time is appropriate. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)00808-0

文献信息

• l-Cysteine as a water-soluble cation scavenger in the removal of the 2,4,6-trimethoxybenzyl group from thiols
  作者：Chia-En Lin、Stewart K Richardson、David S Garvey

  DOI：10.1016/s0040-4039(02)00808-0

  日期：2002.6

  L-Cysteine was used as a water-soluble cation scavenger in the acid-catalyzed removal of the 2,4,6-trimethoxybenzyl (Tmob) group from thiols. After aqueous extraction, the product thiols were isolated in good yields. For most substrates, trifluoroacetic acid (TFA) is the reagent of choice. However, for the deprotection of acid-sensitive compounds, formic acid with an extended reaction time is appropriate. (C) 2002 Elsevier Science Ltd. All rights reserved.