thioacetic acid S-(6-acetylsulfanyl-(Z)-hex-3-enyl) ester | 901772-74-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硫代羧酸及其衍生物
• 英文名称: thioacetic acid S-(6-acetylsulfanyl-(Z)-hex-3-enyl) ester
• 英文别名: S-[(Z)-6-acetylsulfanylhex-3-enyl] ethanethioate
• CAS: 901772-74-5
• 化学式: C₁₀H₁₆O₂S₂
• 分子量: 232.368
• InChiKey: BGQWMYGYUJPUIA-ARJAWSKDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  14
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  84.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  thioacetic acid S-(6-acetylsulfanyl-(Z)-hex-3-enyl) ester 在 氧气 、 potassium carbonate 、 cesium fluoride 作用下， 以 甲醇 、 乙腈 为溶剂， 生成 (Z)-3,4,7,8-tetrahydro-1,2-dithiocine
  参考文献：
  名称：

  Synthesis and properties of disulfide-bond containing eight-membered rings

  摘要：

  The cyclocystine ring structure (CRS, 3), which results from a disulfide-bond between adjacent cysteine residues, is a rare motif in protein structures and is functionally important to those few proteins that posses it. This letter will focus on the construction of CRS mimics and the determination of their respective redox potentials. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.04.023
• 作为产物：
  描述：

  (Z)-hex-3-enedialdehyde 在 sodium tetrahydroborate 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 乙醚 、 水 为溶剂， 生成 thioacetic acid S-(6-acetylsulfanyl-(Z)-hex-3-enyl) ester
  参考文献：
  名称：

  Synthesis and properties of disulfide-bond containing eight-membered rings

  摘要：

  The cyclocystine ring structure (CRS, 3), which results from a disulfide-bond between adjacent cysteine residues, is a rare motif in protein structures and is functionally important to those few proteins that posses it. This letter will focus on the construction of CRS mimics and the determination of their respective redox potentials. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.04.023

文献信息

• Synthesis, redox properties, and conformational analysis of vicinal disulfide ring mimics
  作者：Erik L. Ruggles、P. Bruce Deker、Robert J. Hondal

  DOI：10.1016/j.tet.2008.11.085

  日期：2009.2

  A vicinal disulfide ring (VDR) results from disulfide-bond formation between two adjacent cysteine residues. This eight-membered ring is a rare motif in protein structures and is functionally important to those few proteins that posses it. This article focuses on the construction of strained and unstrained VDR mimics, discernment of the preferred conformation of these mimics, and the determination of their respective disulfide redox potentials. (C) 2008 Elsevier Ltd. All rights reserved.