2,5-二苯基己-3-炔-2,5-二醇 | 6289-26-5

• 物质功能分类: 化学试剂 - 有机试剂 - 炔烃
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2,5-二苯基己-3-炔-2,5-二醇
• 英文名称: 2,5-diphenyl-hex-3-yne-2,5-diol
• 英文别名: 2,5-diphenylhex-3-yne-2,5-diol；2.5-Dioxy-2.5-diphenyl-hexin-(3)；2,5-Diphenyl-hex-3-in-2,5-diol；β.ε-Dioxy-β.ε-diphenyl-γ-hexin；meso-1,4-Dimethyl-1,4-diphenyl-butin-(2)-diol-(1,4)；rac.-1,4-Dimethyl-1,4-diphenyl-butin-(2)-diol-(1,4)
• CAS: 6289-26-5
• 化学式: C₁₈H₁₈O₂
• mdl: MFCD02113735
• 分子量: 266.34
• InChiKey: HJVVXZWQDRNQEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2906299090

反应信息

• 作为反应物：
  描述：

  2,5-二苯基己-3-炔-2,5-二醇 在 乙醚 、 氢气 、 钯 作用下， 生成 5-苯基己烷-2-基苯
  参考文献：
  名称：

  Dupont, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1913, vol. 156, p. 1624

  摘要：

  DOI：
• 作为产物：
  描述：

  苯乙酮 、 alkaline earth salt of/the/ methylsulfuric acid 生成 2,5-二苯基己-3-炔-2,5-二醇
  参考文献：
  名称：

  Jozitsch, Zhurnal Russkago Fiziko-Khimicheskago Obshchestva, 1906, vol. 38, p. 658

  摘要：

  DOI：

文献信息

• Brønsted Acid-Catalyzed Cascade Reactions Involving 1,2-Indole Migration
  作者：Estela Álvarez、Olalla Nieto Faza、Carlos Silva López、Manuel A. Fernández-Rodríguez、Roberto Sanz

  DOI：10.1002/chem.201502174

  日期：2015.9.7

  A cascade reaction of indoles with propargylic diols involving an unprecedented metal‐free 1,2‐indole migration onto an alkyne was carried out. DFT calculations support a mechanism consisting of a concerted nucleophilic attack of the indole nucleus with loss of water, followed by the 1,2‐migration and subsequent Nazarov cyclization. This Brønsted acid‐catalyzed protocol affords indole‐functionalized

  进行了吲哚与炔丙二醇的级联反应，涉及到前所未有的无金属1,2-吲哚迁移至炔烃。DFT计算支持一种机制，该机制包括对吲哚核的协同亲核攻击和失水，然后进行1,2-迁移和随后的Nazarov环化。此布朗斯台德酸催化方案可高产率提供吲哚官能化的苯并富勒烯衍生物。
• SYNTHESIS OF SUBSTITUTED BUTATRIENES AND NOVEL STRUCTURES OF THEIR O₂-OXIDATION PRODUCTS
  作者：Masahiko Iyoda、Kazuhiko Nishioka、Masanori Nose、Shigeyoshi Tanaka、Masaji Oda

  DOI：10.1246/cl.1984.131

  日期：1984.1.5

  Synthesis of three 2,3-diiodo-1,3-dienes and conversion of these dienes into butatrienes are described. 2,5-Dimethylhexa-2,3,4-triene polymerizes on exposure to air to give the polymeric peroxide (C6H12O2)n which is reassigned as the structure containing acetylene and peroxide units.

  介绍了三种 2,3-二碘-1,3-二烯的合成以及将这些二烯转化为丁三烯的过程。2,5-二甲基六-2,3,4-三烯在暴露于空气中时发生聚合，生成聚合过氧化物 (C6H12O2)n，该过氧化物被重新分配为包含乙炔和过氧化物单元的结构。
• Carbon–carbon σ-bond cleavage in α-hydroxyalkynes on reaction with dodecacarbonyl-triosmium and -triruthenium
  作者：Silvio Aime、Luciano Milone、Antony J. Deeming

  DOI：10.1039/c39800001168

  日期：——

  A carbon–carbon σ-bond is cleaved in the reaction of the diols HOCR2CCCR2OH (R = Me or Ph) with the osmium or ruthenium carbonyls [M3(CO)12] to give [HM3(CO)9(CCR2OH)], a reaction which appears to be generally applicable to α-hydroxyalkynes not containing an α-hydrogen atom.

  碳-碳σ -键被裂解在二元醇的反应HOCR 2 ç CCR 2 OH（R = Me或PH）与锇或钌羰基[M 3（CO）12 ]，得到[HM 3（CO）9（C CR 2 OH）]，该反应似乎普遍适用于不含α-氢原子的α-羟基炔烃。
• Process for preparing acyl trimethyl cyclohexene derivatives and use of intermediates therefor in augmenting or enhancing the aroma or taste of a consumable material
  申请人：INTERNATIONAL FLAVORS & FRAGRANCES INC.

  公开号：EP0032287A1

  公开（公告）日：1981-07-22

  Described is a process for preparing β-damascone starting with 2,6,6-trimethyl cyclohex-2-enone according to the reaction sequence: wherein Z is hydrogen, MgX', Li, Na or K; Y is MgX', Li, Na or K; X' is Cl, Br or I; R is C1-C3 lower alkyl such as methyl, ethyl, n-propyl or i-propyl; K is Cl, Br or i. Also described are the organoleptic uses of the compound having the structure: in augmenting or enhancing the taste or aroma of a consumable material, e.g., foodstuff, chewing gum, medicinal product, chewing tobacco, smoking tobacco, perfume, perfumed article (e.g., drier-added fabric softener articles and solid or liquid anionic, cationic or nonionic detergents) and cologne.

  描述了一种以 2,6,6-三甲基环己-2-烯酮为原料，按照以下反应顺序制备 β-大马酮的工艺： 其中 Z 是氢、MgX'、Li、Na 或 K；Y 是 MgX'、Li、Na 或 K；X'是 Cl、Br 或 I；R 是 C1-C3 低级烷基，如甲基、乙基、正丙基或 i-丙基；K 是 Cl、Br 或 i。 还描述了具有以下结构的化合物的感官用途： 用于增加或提高消费品的味道或香气，例如食品、口香糖、医药产品、咀嚼烟草、 吸烟烟草、香水、加香物品（例如干燥剂添加织物柔软剂物品和固体或液体阴离子、阳离子或 非离子洗涤剂）和古龙水。
• Herbicidal compositions and methods of preparing and using the same
  申请人：MONSANTO COMPANY

  公开号：EP0526443A1

  公开（公告）日：1993-02-03

  A herbicide composition is provided comprising a glyphosate herbicide, an activity enhancing alkyl polyglycoside surfactant, and a foam moderating acetylenic diol.

  除草剂组合物由草甘膦除草剂、活性增强型烷基聚糖苷表面活性剂和泡沫缓和型乙炔二醇组成。