n-butyl mercaptyl radical | 16812-18-3

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物
• 英文名称: n-butyl mercaptyl radical
• 英文别名: 1-butanethiyl radical；butylsulfanyl；n-Butylschwefel Radikal；n-Butylthio-Radikal
• CAS: 16812-18-3
• 化学式: C₄H₉S
• 分子量: 89.1815
• InChiKey: WAUHABGEEBVFTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.98
• 重原子数：
  5.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  n-butyl mercaptyl radical 在 氧化亚氮 作用下， 生成 n-Butylthionitrit
  参考文献：
  名称：

  异丙硫基与氧，二氧化氮和一氧化氮在296 K下的反应

  摘要：

  DOI：

  10.1021/j100316a026
• 作为产物：
  描述：

  二丁基二硫 生成 n-butyl mercaptyl radical
  参考文献：
  名称：

  PETROVA R. G.; GASANOV R. G.; CHURKINA T. D., IZV. AN CCCP. CEP. XIM. 1981, HO 2, 379-382

  摘要：

  DOI：

文献信息

• The Kinetics of Thiyl Radical-Induced Reactions of Monounsaturated Fatty Acid Esters
  作者：Chryssostomos Chatgilialoglu、Alessio Altieri、Hanns Fischer

  DOI：10.1021/ja027428d

  日期：2002.10.1

  The time-dependent isomerizations and thiol additions of several Z- and E-monounsaturated fatty acid methyl esters catalyzed by alkanethiyl radicals during gamma-radiolysis of tert-butyl alcohol solutions are analyzed on the basis of the radiation chemical yield of radicals and established rate data. This provides room-temperature rate constants for the reversible thiyl addition. Within experimental

  基于自由基的辐射化学产率和已建立的速率数据，分析了在叔丁醇溶液的 γ-辐射过程中由烷烃基自由基催化的几种 Z-和 E-单不饱和脂肪酸甲酯的时间依赖性异构化和硫醇加成. 这为可逆的噻吩加成提供了室温速率常数。在实验误差范围内，它们不依赖于烷基链中的双键位置。特别值得注意的是硫基自由基从带有第二个β-取代基的烷基中非常快速地β-消除。它得到了通过激进时钟方法获得的额外证据的支持，
• Beckwith, Athelstan L. J.; Duggan, Sandhya A. M., Journal of the Chemical Society. Perkin transactions II, 1994, # 7, p. 1509 - 1518
  作者：Beckwith, Athelstan L. J.、Duggan, Sandhya A. M.

  DOI：——

  日期：——
• <i>cis</i>−<i>trans</i> Isomerization of Monounsaturated Fatty Acid Residues in Phospholipids by Thiyl Radicals
  作者：Chryssostomos Chatgilialoglu、Carla Ferreri、Marco Ballestri、Quinto G. Mulazzani、Laura Landi

  DOI：10.1021/ja994169s

  日期：2000.5.1

  Thiyl radicals reversibly attack the double bonds of methyl oleate and dioleoyl phosphatidyl choline (DOPC), thus producing methyl elaidate and the corresponding phospholipids containing trans-fatty acid residues in high yield. These processes are radical chain reactions with relatively long chain lengths. The rate constant for the beta-elimination of a thiyl radical from the adduct radical has been estimated to be 6 x 10(6) s(-1) at ambient temperature. The cis-trans isomerization of fatty acid residues in DOPC vesicles (multilamellar vesicles and large unilamellar vesicles made by the extrusion technique) by a thiyl radical, generated from biologically relevant thiols, has also been studied in detail. The presence of 0.2 mM oxygen does not influence the effectiveness of cis-trans isomerization in both homogeneous solution and lipid vesicles. This process, which does not cause lipid degradation but permanent modification of the membrane constituents, ultimately influences the barrier properties and functions of biological membranes.