tert-butyl hydrodisulfide | 68409-52-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫基化合物
• 英文名称: tert-butyl hydrodisulfide
• 英文别名: tert-Butyl hydrosulfide；tert-butyl-disulfane；tert-Butylhydrodisulfid；t-Butylthiomercaptan；2-(disulfanyl)-2-methylpropane
• CAS: 68409-52-9
• 化学式: C₄H₁₀S₂
• 分子量: 122.255
• InChiKey: MZVQVTHDZFCTFK-UHFFFAOYSA-N

物化性质

• 沸点：
  40 °C(Press: 120 Torr)
• 密度：
  0.996±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  6
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  26.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  tert-butyl hydrodisulfide 生成 2-甲基-2-丙硫醇钠盐
  参考文献：
  名称：

  KIM J. K.; CASERIO M. C., J. ORG. CHEM., 1979, 44, NO 12, 1897-1904

  摘要：

  DOI：
• 作为产物：
  描述：

  S-叔丁基硫-L-半胱氨酸 在 磷酸吡哆醛 、 cysteine lyase domain 、 potassium chloride 、 水 作用下， 以 aq. buffer 为溶剂， 生成 tert-butyl hydrodisulfide 、 丙酮酸
  参考文献：
  名称：

  聚酮化合物合酶结构域切割CS键[生物化学]

  摘要：

  莱纳霉素（LNM）是一种含硫的抗肿瘤抗生素，具有罕见的1,3-二氧-1,2-二硫杂环戊烷部分，该部分螺旋稠合到含噻唑的18元内酰胺环上。1,3-二氧杂-1,2-二硫杂环戊烷部分对LNM的抗肿瘤活性至关重要，因为它具有生成能够将DNA烷基化的epi盐离子中间体的能力。我们先前已克隆并...

  DOI：

  10.1073/pnas.1508437112

文献信息

• Synthesis, Characterization, and Reactivity of Alkyldisulfanido Zinc Complexes
  作者：Erwan Galardon、Alain Tomas、Mohamed Selkti、Pascal Roussel、Isabelle Artaud

  DOI：10.1021/ic900238v

  日期：2009.7.6

  The alkyldisulfanido zinc complexes Tp(iPr,iPr) n(SSR) and Tp(Ph,Me) n(SSR) where Tp(iPr,iPr) is hydridotris-((3,5-isopropyl) pyrazolyl)borate, Tp(Ph,Me) is hydridotris-((3-phenyl,5-methyl)pyrazolyl)borate, and (SSR) is tert-butyldisulfanido or triphenylmethanedisulfanido were synthesized by reaction between the corresponding hydroxo complexes Tp n(OH) and the synthetic persulfide RSSH. All the complexes were characterized by elemental analysis and H-1 NMR spectroscopy, and representative members of the class were also structurally characterized. The reactivity of the alkyldisulfanido Tp n(SSR) complexes with thiols was studied. In the absence of base, a simple exchange reaction between the alkyldisulfanido ligand and the thiol was observed in dichloromethane; when in the presence of base, the corresponding hydrogen(sulfido) complexes Tp n(SH) were obtained. The mechanism of the latter reaction has been studied and does not involve the coordinated alkyldisulfanido group. Reaction of the hydrogen(sulfido) complexes Tp(iPr,iPr) n(SH) with the thiosulfonate PhCH2S-SO2CF3 did not yield the expected alkyldisulfanido complex but benzyltrisulfide and a new complex tentatively assigned as Tp(iPr,iPr) n(O2SCF3).
• Bleeker, Ido P.; Engberts, Jan B. F. N., Recueil des Travaux Chimiques des Pays-Bas, 1981, vol. 100, # 12, p. 459 - 461
  作者：Bleeker, Ido P.、Engberts, Jan B. F. N.

  DOI：——

  日期：——
• The Chemistry of Alkylsulfenyl Alkylsulfinyl Thioanhydrides. The Mechanism of Decomposition
  作者：Gerard Derbesy、David N. Harpp

  DOI：10.1021/jo00119a025

  日期：1995.7

  The decomposition mechanism of alkylsulfenyl alkylsulfinyl thioanhydrides has been investigated. Although the product mixture is complex in most cases, a detailed decomposition study as well as a careful analysis of the products allows for a proposal for a general mechanism which is interesting and not simple. We find, however, that the decomposition process is consistent with that of related systems.
• Synthesis and Decomposition of Some Dialkyl Oxide Derivatives of Organotrisulfides
  作者：Gérard Derbesy、David N. Harpp

  DOI：10.1021/jo950826x

  日期：1996.1.1

  The isolation or detection of sulfenic sulfonic thioanhydrides 1 (e.g., 6), sulfenyl vic-disulfoxides 4 (e.g., 9, 14), and sulfinic thioanhydrides 5 (e.g., 20) has been carried out by oxidative procedures at various temperatures. The decomposition of these compounds has been investigated and is shown to be consistent with the mechanism proposed for the decomposition of trisulfide monoxides.
• BLEEKER, I. P.;ENGBERTS, J. B. F. N., REC. TRAV. CHIM. PAYS-BAS., 1981, 100, N 12, 459-461
  作者：BLEEKER, I. P.、ENGBERTS, J. B. F. N.

  DOI：——

  日期：——