O-(3-甲基丁基),S-甲基二硫代碳酸酯 | 70061-61-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫代缩醛
• 中文名称: O-(3-甲基丁基),S-甲基二硫代碳酸酯
• 英文名称: O-(3-methylbutyl), S-methyl dithiocarbonate
• 英文别名: O-(3-methylbutyl) methylsulfanylmethanethioate
• CAS: 70061-61-9
• 化学式: C₇H₁₄OS₂
• 分子量: 178.32
• InChiKey: LVGADPVWXOSMNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  66.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  O-(3-甲基丁基),S-甲基二硫代碳酸酯 生成 3-甲基-1-丁烯
  参考文献：
  名称：

  Whitmore; Simpson, Journal of the American Chemical Society, 1933, vol. 55, p. 3811

  摘要：

  DOI：
• 作为产物：
  描述：

  碘甲烷 、 alkaline earth salt of/the/ methylsulfuric acid 在 乙醚 作用下， 生成 O-(3-甲基丁基),S-甲基二硫代碳酸酯
  参考文献：
  名称：

  Whitmore; Simpson, Journal of the American Chemical Society, 1933, vol. 55, p. 3811

  摘要：

  DOI：

文献信息

• An Efficient, One-Pot, Triton-B Catalyzed Synthesis of O-Alkyl-S-methyl Dithiocarbonates
  作者：Devdutt Chaturvedi、Suprabhat Ray

  DOI：10.1007/s00706-006-0514-0

  日期：2006.9

  A novel process for the one-step conversion of a variety of primary and secondary alcohols into their O -alkyl- S -methyl dithiocarbonates using methyl iodide catalyzed by the Triton-B/CS2 system was developed. Thus, O -alkyl- S -methyl dithiocarbonates were obtained in very good to excellent yields. This protocol is mild and efficient compared to other methods.

  开发了一种新颖的方法，该方法使用Triton-B / CS 2系统催化的甲基碘将多种伯醇和仲醇一步转化为 O- 烷基 -S- 甲基二硫代碳酸酯。因此， 以非常好的至极好的收率获得了 O- 烷基 -S- 甲基二硫代碳酸酯 。与其他方法相比，该协议温和有效。
• Superoxide Ion–Promoted Facile One-Pot Synthesis of <i>O</i>-Alkyl-<i>S</i>-methyl Dithiocarbonates from Alcohol Under Mild Reaction Conditions
  作者：Satish Kumar Singh、Krishna Nand Singh

  DOI：10.1080/10426507.2010.482545

  日期：2010.12.30

  Abstract A new, mild, and efficient protocol for the one-pot synthesis of O-alkyl-S-methyl dithiocarbonates (xanthates) has been described in reasonably good yields from a variety of alcohols employing carbon disulfide and methyl iodide using superoxide ion at room temperature. GRAPHICAL ABSTRACT

  摘要 一种新的、温和的、高效的 O-烷基-S-甲基二硫代碳酸酯（黄原酸酯）合成方案已被描述为从各种使用二硫化碳和甲基碘的醇在室温下使用超氧离子以相当好的收率进行合成。温度。图形概要
• Catalytic rearrangement of O,S-dialkyl dithiocarbonates to S,S-dialkyl dithiocarbonates. IV. Use of boron trifluoride etherate as catalyst.
  作者：KEIJI KOMAKI、TOSHINOBU KAWATA、KAZUNOBU HARANO、TANEZO TAGUCHI

  DOI：10.1248/cpb.26.3807

  日期：——

  Migration of alkyl group from O to S in the reaction of O, S-dialkyl dithiocarbonates with boron trifluoride etherate was studied to elucidate the reaction mechanism on the basis of results from kinetics, crossover reaction, and products formed. It was worthy of note that dialkyl methyl sulfonium fluoroborates were formed in a fairly good yield in reactions with O-alkyl S-methyl dithiocarbonates (alkyl=benzyl and cholesteryl) with boron trifiuoride etherate. Formation mechanism of these by-products was investigated and discussed.

  研究了 O、S-二烷基二硫代碳酸酯与三氟化硼醚反应中烷基从 O 向 S 的迁移，并根据动力学、交叉反应和生成物的结果阐明了反应机理。值得注意的是，在 O-烷基 S-甲基二硫代碳酸酯（烷基=苄基和胆甾基）与三氟化硼醚酸盐的反应中，生成的二烷基甲基氟硼酸锍的产率相当高。对这些副产品的形成机理进行了研究和讨论。
• Lee, Albert W. M.; Chan, W. H.; Wong, H. C., Synthetic Communications, 1989, vol. 19, # 3and4, p. 547 - 552
  作者：Lee, Albert W. M.、Chan, W. H.、Wong, H. C.、Wong, M. S.

  DOI：——

  日期：——
• LEE, ALBERT W. M.;CHAN, W. H.;WONG, H. C.;WONG, M. S., SYNTH. COMMUN., 19,(1989) N-4, C. 547-552
  作者：LEE, ALBERT W. M.、CHAN, W. H.、WONG, H. C.、WONG, M. S.

  DOI：——

  日期：——