di(but-3-enyl) disulfide | 61704-47-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 有机二硫化物
• 英文名称: di(but-3-enyl) disulfide
• 英文别名: 4-[(But-3-en-1-yl)disulfanyl]but-1-ene；4-(but-3-enyldisulfanyl)but-1-ene
• CAS: 61704-47-0
• 化学式: C₈H₁₄S₂
• 分子量: 174.331
• InChiKey: YNGAZVITLVHOBL-UHFFFAOYSA-N

物化性质

• 沸点：
  216.8±29.0 °C(Predicted)
• 密度：
  0.975±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  10
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  三甲氧基硅烷 、 di(but-3-enyl) disulfide 在 bis(1,5-cyclooctadiene)diiridium(I) dichloride 、 1,5-环辛二烯 作用下， 以 二氯甲烷-D2 为溶剂， 反应 8.0h， 以90%的产率得到bis(trimethoxysilylbutyl)disulfide
  参考文献：
  名称：

  铱催化的含硫烯烃的氢化硅烷化

  摘要：

  使用铱催化剂[IrX（cod）] 2（X = Cl，SPh）已实现了各种含硫烯烃与（RO）3 SiH的氢化硅烷化。该催化可用于硫代乙酸酯的化学选择性氢化硅烷化，这使得能够制备工业上重要的硅烷偶联剂。

  DOI：

  10.1021/acs.orglett.7b02940
• 作为产物：
  描述：

  丁-1-烯-4-硫醇 在 potassium permanganate 、 copper(II) sulfate 作用下， 以 二氯甲烷 为溶剂， 以75%的产率得到di(but-3-enyl) disulfide
  参考文献：
  名称：

  Alkenylthioimidoyl Radicals:  Competition between β-Scission and Cyclization to Dihydrothiophen-2-ylidene-amines

  摘要：

  But-3-enylthiolmidoyl radicals were shown by EPR spectroscopy and end product analysis to ring-close predominantly in the 5-exo mode with a rate constant of 2.4 x 10(4) s(-1) at 300 K to afford substituted dihydrothiophenylmethyl radicals. This ring closure was in competition with dissociation to but-3-enyl radicals and an isothiocyanate. The dissociation predominated at temperatures above ca. 300 K.

  DOI：

  10.1021/ol034073+

文献信息

• Synthesis and preliminary evaluation of the anti-cancer activity on A549 lung cancer cells of a series of unsaturated disulfides
  作者：Fabrizio Olivito、Nicola Amodio、Maria Luisa Di Gioia、Monica Nardi、Manuela Oliverio、Giada Juli、Pierfrancesco Tassone、Antonio Procopio

  DOI：10.1039/c8md00503f

  日期：——

  We synthesized a series of small symmetrical unsaturated disulfides by a multi-step reaction starting from organic alcohols, and we performed a preliminary test to evaluate the effect of these compounds on the viability of A549 lung cancer cells. The garlic-derived natural compound diallyl disulfide, known for its anticancer activity, was used as the lead compound in this study. We synthesized five

  我们从有机醇开始，通过多步反应合成了一系列小的对称不饱和二硫化物，并进行了初步测试，以评估这些化合物对A549肺癌细胞生存力的影响。大蒜来源的天然化合物二烯丙基二硫化物，以其抗癌活性而闻名，在本研究中被用作主要化合物。我们合成了五个具有不同碳链长度和双键不同位置的DADS类似物。两种类似物在体外表现出有希望的抗肿瘤活性，而烯丙基双键似乎不是主要驱动力。
• Alkanethioimidoyl Radicals:  Evaluation of β-Scission Rates and of Cyclization onto <i>S</i>-Alkenyl Substituents
  作者：Matteo Minozzi、Daniele Nanni、John C. Walton

  DOI：10.1021/jo0353637

  日期：2004.3.1

  Thioimidoyl radicals were generated by addition of alkylsulfanyl radicals to alkyl isonitriles and were characterized by electron paramagnetic resonance (EPR) spectroscopy. The β-scissions of their C•S−C bonds were studied by variable-temperature EPR spectroscopy and the fragmentation rate constants and activation energies were calculated. The scission rates depend on the stability of the released alkyl radicals

  硫代亚氨基基团是通过将烷基硫基基团加到烷基异腈中而生成的，并通过电子顺磁共振（EPR）光谱进行了表征。通过变温EPR光谱研究了它们的C • S–C键的β断裂，并计算了断裂速率常数和活化能。断裂速率取决于所释放的烷基的稳定性，但是在任何情况下，在室温下，该过程都是快速的。收集到的类似氧基亚酰亚胺基的数据表明，与类似的硫代酰亚胺基相比，它们的裂解略慢。EPR无法研究硒代亚酰胺的断裂速率，而无法通过理论计算进行评估。EPR实验还启用了β分裂和5-exo待测定的两个S-丁-3-烯基取代的亚甲基酰基的闭环速率常数，表明环化仅在低温下盛行。密度泛函理论（DFT）理论计算预测，断裂过程优先发生在亚氨基的s-顺式旋转异构体（X-C键）上。硫代和硒代亚氨基（而不是氧亚氨基）更喜欢s-反式构象，因此它们的断裂涉及事先围绕X-C键的旋转。
• Deodorant composition and its application
  申请人：Takasago International Corporation

  公开号：EP1195099A2

  公开（公告）日：2002-04-10

  A deodorant composition comprises one or several phenolic compounds, at least enzyme capable of oxidizing the phenolic compound(s), and a flavor or fragrance. The flavor or fragrance meets the satisfaction criteria for freshness, cleanliness and pleasant feeling. The satisfaction criteria are expressed in terms of scores ranging from 0 to 100 points. Typically, the scores exceeding 50 points signify a satisfactory result. The preferred fragrances include citrus-type, fruit-type, floral-type, musk-type, wood-type, greenery-type, spice-type, herb-type and mint-type fragrance. By contrast, the preferred flavor include citrus-type, mint-type, fruit-type, vanilla-type, spice-type and floral-type flavor. The deodorant composition can be formulated with an appropriate carrier. The composition or the carrier-bearing composition can be applied to malodorous objects, human bodies or mammals.

  一种除臭剂组合物由一种或几种酚类化合物、至少能氧化酚类化合物的酶和一种香精或香料组成。香精或香料符合清新、清洁和愉悦感的满意度标准。满意度标准以 0 分至 100 分表示。通常情况下，超过 50 分即表示满意。首选的香味包括柑橘类、水果类、花香类、麝香类、木香类、绿色植物类、香料类、草本类和薄荷类香味。相比之下，首选香料包括柑橘类、薄荷类、水果类、香草类、香料类和花香类。除臭剂组合物可以用适当的载体配制。该组合物或含有载体的组合物可用于恶臭物体、人体或哺乳动物。
• SALTY TASTE ENHANCER
  申请人：Kaneka Corporation

  公开号：EP2801264A1

  公开（公告）日：2014-11-12

  A salty taste enhancer of the present invention includes a finely ground plant tissue product in which at least a part of cell walls are destroyed and which passes through a size of 140-mesh, and a flavor component including a Maillard reaction product and a sulfur-containing compound. In particular, when the finely ground plant tissue product includes a sterol or a sterol fatty acid ester shown by the following general formula (1), an excellent salty taste enhancing effect is exhibited, and even if an amount of a salt used is reduced, the impact of a first taste and the retention of an aftertaste can be enhanced, and the amount of the salt used can be reduced without impairing a taste of food and drink. (Provided that in the formula (1), R1 represents a hydrogen atom or a fatty acid residue, and R2 represents a hydrocarbon group including no double bond.)

  本发明的咸味增强剂包括至少部分细胞壁被破坏并通过 140 目细磨的植物组织产品，以及包括马氏反应产物和含硫化合物的风味成分。特别是，当磨细的植物组织产品包括以下通式（1）所示的固醇或固醇脂肪酸酯时，可表现出极佳的咸味增强效果，即使减少盐的用量，也能增强初味的冲击力和余味的保持力，并且可以减少盐的用量而不影响食品和饮料的味道。(前提是在式 (1) 中，R1 代表氢原子或脂肪酸残基，R2 代表不含双键的烃基）。
• Rubber composition and pneumatic tire using the same
  申请人：Toyo Tire Corporation

  公开号：US11530319B2

  公开（公告）日：2022-12-20

  There is provided a rubber composition which can provide a tire having an excellent balance of the breaking properties, the rolling resistance performance (low fuel consumption) and the wet grip performance. The rubber composition includes 100 parts by mass of a diene rubber, and 1 to 100 parts by mass of fine particles (A) having a glass transition point of −70° C. to 0° C. and composed of a polymer comprising constituent units of at least one monofunctional monomer. The fine particles (A) have a crosslinked structure crosslinked by at least one polyfunctional monomer having a polysulfide bond in which at least two successive sulfur atoms are bonded together.

  本发明提供了一种橡胶组合物，它能使轮胎在破损性能、滚动阻力性能（低油耗）和湿地抓地力性能之间达到极佳的平衡。该橡胶组合物包括 100 重量份的二烯烃橡胶和 1 至 100 重量份的细颗粒（A），细颗粒（A）的玻璃化转变点为零下 70 摄氏度至 0 摄氏度，由至少一种单官能团单体的组成单元构成的聚合物组成。细颗粒（A）具有由至少一种多官能团单体交联的交联结构，该单体具有多硫键，其中至少两个连续的硫原子键合在一起。