1,1,6,6-tetrakis(2,4-dimethylphenyl)-2,4-hexadiyne-1,6-diol | 101855-69-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 1,1,6,6-tetrakis(2,4-dimethylphenyl)-2,4-hexadiyne-1,6-diol
• 英文别名: 1,1,4,4-tetrakis(2,4-dimethylphenyl)-but-2-yn-1,4-diol；1,1,6,6-tetra(2,4-dimethylphenyl)-2,4-hexadiyne-1,6-diol；1,1,6,6-tetra(2,4-dimethylphenyl)-2,4-hexadiyn-1,6-diol；1,1,6,6-tetrakis(2,4-dimethylphenyl)-2,4-hexadiyn-1,6-diol；1,1,6,6-Tetrakis(2,4-dimethylphenyl)hexa-2,4-diyne-1,6-diol
• CAS: 101855-69-0
• 化学式: C₃₈H₃₈O₂
• 分子量: 526.719
• InChiKey: YDMVFEUUJCFXNW-UHFFFAOYSA-N

物化性质

• 沸点：
  720.7±60.0 °C(Predicted)
• 密度：
  1.123±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  40
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,4a,5,6,7,8-六氢-3H-萘-2-酮 、 1,1,6,6-tetrakis(2,4-dimethylphenyl)-2,4-hexadiyne-1,6-diol 生成 4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one;1,1,6,6-tetrakis(2,4-dimethylphenyl)hexa-2,4-diyne-1,6-diol
  参考文献：
  名称：

  TANAKA KOICHI; TODA FUMIO, J. CHEM. SOC. JAP., CHEM. AND IND. CHEM.,(1986) N 7, 932-936

  摘要：

  DOI：
• 作为产物：
  描述：

  1,1-双(2,4-二甲基苯基)-2-丙炔-1-醇 在 氧气 、 copper(l) chloride 作用下， 以 吡啶 、 丙酮 为溶剂， 反应 12.0h， 以90%的产率得到1,1,6,6-tetrakis(2,4-dimethylphenyl)-2,4-hexadiyne-1,6-diol
  参考文献：
  名称：

  羟基主体系统与醇的分子复合物。1,1,6,6-Tetrakis(2,4-二甲基苯基)-2,4-hexadiyne-1,6-diol-Ethanol (1:2), 1,1-Bis(2, 4-二甲基苯基)-2-丁炔-1-醇-乙醇 (1:1) 和 9-(1-丙炔基)-9-芴醇-甲醇 (1:1)

  摘要：

  1,1,6,6-四(2,4-二甲基苯基)-2,4-己二炔-1,6-二醇与乙醇的1:2分子络合物(I)的结构，1:1络合物( II) 1,1-双(2,4-二甲基苯基)-2-丁炔-1-醇与乙醇，以及 9-羟基-9-(1-丙炔基)芴与甲醇的 1:1 络合物 (III)已通过 X 射线晶体学确定。晶体数据为：I, C42H50O4, P\bar1, a=8.249(3), b=9.522(5), c=14.803(8)A, α=100.95(4), β=110.82(4), γ =113.08(3)°，Z=1，1834年观测到的Mo Kα数据Rf=0.105；II, C22H28O2, P\bar1, a=8.142(2), b=11.281(3), c=l2.262(4)A, α=102.76(2), β=97.08(2), γ=111.19( 2)°，Z=2，2104数据Rf=0.073；III

  DOI：

  10.1246/bcsj.58.2221

文献信息

• ALKYNOL COMPOUNDS AND ALCOHOL SEPARATING AGENTS
  申请人：KYOWA HAKKO KOGYO KABUSHIKI KAISHA

  公开号：EP0178331A1

  公开（公告）日：1986-04-23

  Alkynol compounds represented by the formula (1) (wherein R1 to R6 and R6 to R10 each represents a hydrogen atom or a lower alkyl group, and R11 represents a lower alkyl group or a group represented by the formula (II) (wherein R1 to Rs and R6 to Rio are as defined above, provided that at least one of R1 to R5 and R6 to R10 is a lower alkyl group) form complex crystals with alcohol when added to an aqueous alcohol solution, and can be used in separating alcohol from an aqueous alcohol solution.

  由式（1）代表的炔醇化合物（其中 R1 至 R6 和 R6 至 R10 各代表一个氢原子或一个低级烷基，R11 代表一个低级烷基或由式（II）代表的基团（其中 R1 至 Rs 和 R6 至 Rio 如上所定义，条件是 R1 至 R5 和 R6 至 R10 中至少有一个是低级烷基）在加入醇水溶液后与醇形成复合晶体，可用于从醇水溶液中分离醇。
• Method of purifying a microbicide by separating the microbicide from a clathrate compound
  申请人：Kurita Water Industries Ltd.

  公开号：EP0326261A2

  公开（公告）日：1989-08-02

  A clathrate compound is produced if a powdery host compound which reacts with a microbicide to form the clathrate compound is added into an aqueous solution of the microbicide. If the microbicide is separated from the clathrate compound, a microbicide of high purity can be obtained.

  如果在杀微生物剂的水溶液中加入粉末状宿主化合物，这种粉末状宿主化合物就会与杀微生物剂发生反应，形成凝块化合物。如果将杀微生物剂与凝块化合物分离，就可以得到高纯度的杀微生物剂。
• Antimicrobial composition
  申请人：KURITA WATER INDUSTRIES LTD.

  公开号：EP0332336A3

  公开（公告）日：1991-08-07

  An antimicrobial composition comprises a clathrate compound containing a water-soluble microbicide, and a dispersion medium. The microbicide may be 5-chloro-2-methyl-4-isothiazoline-3-one and the host compound may be (1) 1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol;(2) 1,1-di(2,4-dimethylphenyl)-2-propyne-1-ol;(3) 1,1,4,4-tetraphenyl-2-butyne-1,4-diol;(4) 1,1'-bi-2-naphthol;(5) 1,1,6,6-tetra(2,4-dimethylphenyl)-2,4-hexadiyne-1,6-diol;(6) 9,10-di(4-methylphenyl)-9,10-dihydroanthracene-9,10-diol;(7) 1,1-bis(4-hydroxyphenyl)cyclohexane;(8) N,N,N',N'-tetra(cyclohexyl)-[1,1'-biphenyl]-2,2'-dicarboxyamide;(9) 2,2'-methylenebis(4-chlorophenol);(10) deoxycholic acid; and(11) 2,5-di-tert-butylhydroquinone.

  一种抗微生物组合物由含有水溶性杀微生物剂的凝块化合物和分散介质组成。杀微生物剂可以是 5-氯-2-甲基-4-异噻唑啉-3-酮，宿主化合物可以是 (1) 1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol;(2) 1,1-di(2,4-dimethylphenyl)-2-propyne-1-ol;(3) 1,1,4,4-tetraphenyl-2-butyne-1,4-diol;(4) 1,1'-bi-2-naphthol;(5) 1,1,6,6-tetra(2,4-dimethylphenyl)-2,4-hexadiyne-1,6-diol;(6) 9,10-二(4-甲基苯基)-9,10-二氢蒽-9,10-二醇； (7) 1,1-双(4-羟基苯基)环己烷；(8) N,N,N',N'-四(环己基)-[1,1'-联苯]-2,2'-二羧酰胺；(9) 2,2'-亚甲基双(4-氯苯酚)；(10) 脱氧胆酸；以及(11) 2,5-二叔丁基对苯二酚。
• Antimicrobial composition and their use
  申请人：KURITA WATER INDUSTRIES LTD.

  公开号：EP0923867A1

  公开（公告）日：1999-06-23

  An antimicrobial composition is provided in which the skin irritation of isothiazolone type compound is decreased and the injection operation properties thereof is improved by forming it as an uniform solution. The composition contains isothiazolone type compound and a compound which decreases the skin irritation of the former in a molar ratio of 1:0.1-50 and is dissolved in a solvent.

  本发明提供了一种抗菌剂组合物，通过将其制成均匀溶液，降低了异噻唑啉酮类化合物对皮肤的刺激性，并改善了其注射操作性能。该组合物含有异噻唑啉酮类化合物和一种可降低前者对皮肤刺激性的化合物，两者的摩尔比为 1:0.1-50，并溶解在溶剂中。
• SLIME REMOVER AND SLIME PREVENTING/REMOVING AGENT
  申请人：NIPPON SODA CO., LTD.

  公开号：EP1113112A1

  公开（公告）日：2001-07-04

  A drainage slime remover capable of spreading a solution of a solid over slime generated wall surface portions, comprising a solid containing a microorganism growth retarding substance and a container which has a shape for permitting the installation thereof at the inlet or upper portion of a drain outlet and stores the solid characterized in that the container has drain flow-in holes having an opening capable of controlling a drain flow-in amount and provided in the upper surface or the upper side portion of the container and solution flow-out holes having an opening capable of controlling a flow-out amount of a solid solution and provided in the bottom or the lower side portion of the container or additionally in the side surface thereof, and a slime preventing/removing agent which can remove slime from portions such as kitchen sinks and bathroom drain outlets where slime is grown by metabolites such as miscellaneous germs and mildews and which can prevent the occurrence of slime safely and for an extended period of time.

  一种排水粘泥清除器，能够将固体溶液撒在产生粘泥的墙壁表面部分、包括含有微生物生长抑制物质的固体和容器，容器的形状允许将其安装在排水口的入口或上部，并储存固体，其特征在于，容器的上表面或上侧部分设有排水流入孔，该孔具有能够控制排水流入量的开口，容器的底部或下侧部分或其侧表面还设有溶液流出孔，该孔具有能够控制固体溶液流出量的开口、以及一种粘液防止/清除剂，它可以清除厨房水槽和浴室下水道口等地方的粘液，因为在这些地方，各种病菌和霉菌等代谢物会滋生粘液，它可以安全并长时间地防止粘液的产生。