S-(1-oxo-1-pyridin-2-ylpropan-2-yl) ethanethioate | 947238-02-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: S-(1-oxo-1-pyridin-2-ylpropan-2-yl) ethanethioate
• CAS: 947238-02-0
• 化学式: C₁₀H₁₁NO₂S
• 分子量: 209.269
• InChiKey: KUWFYSDXCAXSKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  72.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  S-(1-oxo-1-pyridin-2-ylpropan-2-yl) ethanethioate 在 sodium hydroxide 、 potassium carbonate 作用下， 以 乙醚 、 乙腈 为溶剂， 反应 74.5h， 生成 2-(1-Oxo-1-pyridin-2-ylpropan-2-yl)sulfanyl-1-[6-[2-(1-oxo-1-pyridin-2-ylpropan-2-yl)sulfanylpropanoyl]pyridin-2-yl]propan-1-one
  参考文献：
  名称：

  A Self-Associating ADADA Hydrogen-Bonded Double Helix

  摘要：

  We report the design, synthesis, and characterization of an oligomer which incorporates a non-coplanar ADADA (hydrogen bond donor/acceptor) array within its structure. The molecule associates through self-complementary hydrogen bonding to form a dimeric double-helical complex.

  DOI：

  10.1021/ol071171c
• 作为产物：
  描述：

  2-氰基吡啶 在 三氯化铝 、 溴 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 20.0h， 生成 S-(1-oxo-1-pyridin-2-ylpropan-2-yl) ethanethioate
  参考文献：
  名称：

  A Self-Associating ADADA Hydrogen-Bonded Double Helix

  摘要：

  We report the design, synthesis, and characterization of an oligomer which incorporates a non-coplanar ADADA (hydrogen bond donor/acceptor) array within its structure. The molecule associates through self-complementary hydrogen bonding to form a dimeric double-helical complex.

  DOI：

  10.1021/ol071171c

文献信息

• Preparation of supramolecular polymers containing sequence-selective hydrogen bonding subunits in their backbone which form double helices
  申请人：Wisner James Andrew

  公开号：US20090318626A1

  公开（公告）日：2009-12-24

  The present invention relates to supramolecular polymers containing sequence-selective hydrogen bonding subunits in their backbone which form double helices. The invention allows for tuning of the numbers and sequences of donor/acceptor units incorporated in any one crosslinking hydrogen bonding subunit and hence tuning of the interaction strength not only through the amount of crosslinking material incorporated but also through modulation of the strength of the crosslinking interactions. It also allows for the incorporation of more than one type of crosslinking agent in the material allowing for multiple strengths of crosslinking which are each tunable with regard to disruption from solvent, temperature and stress. Hydrogen bond strength between oligomeric chains can be tailored through modification of the numbers and sequences of the donors/acceptors in the oligomers. The oligomers are sequence-specific and will generally only hydrogen-bond to oligomeric chains which are composed of a complementary set of donors/acceptors. The hydrogen bonded motif formed by the interacting oligomers is helical, imparting both chirality and intertwined topology to these interaction points. Because the polymer end units react with their complements through hydrogen bonding, the telechelic polymer(s) incorporating this technology are reversibly able to be processed as the bonds are first broken and then reformed. This has applications in a number of fields such as inkjet inks, adhesives, printing plates and microphase patterning of polymer surfaces.
• US7919562B2
  申请人：——

  公开号：US7919562B2

  公开（公告）日：2011-04-05
• [EN] PREPARATION OF SUPRAMOLECULAR POLYMERS CONTAINING SEQUENCE-SELECTIVE HYDROGEN BONDING SUBUNITS IN THEIR BACKBONE WHICH FORM DOUBLE HELICES<br/>[FR] PRÉPARATION DE POLYMÈRES SUPRAMOLÉCULAIRES CONTENANT DANS LEUR SQUELETTE DES SOUS-UNITÉS FORMANT DES LIAISONS HYDROGÈNE SÉLECTIVES EN TERMES DE SÉQUENCE QUI FORMENT DES DOUBLES HÉLICES
  申请人：UNIV WESTERN ONTARIO

  公开号：WO2007137430A1

  公开（公告）日：2007-12-06

  [EN] The present invention relates to supramolecular polymers containing sequence-selective hydrogen bonding subunits in their backbone which form double helices. The invention allows for tuning of the numbers and sequences of donor/acceptor units incorporated in any one crosslinking hydrogen bonding subunit and hence tuning of the interaction strength not only through the amount of crosslinking material incorporated but also through modulation of the strength of the crosslinking interactions. It also allows for the incorporation of more than one type of crosslinking agent in the material allowing for multiple strengths of crosslinking which are each tunable with regard to disruption from solvent, temperature and stress. Hydrogen bond strength between oligomeric chains can be tailored through modification of the numbers and sequences of the donors/acceptors in the oligomers. The oligomers are sequence-specific and will generally only hydrogen-bond to oligomeric chains which are composed of a complementary set of donors/acceptors. The hydrogen bonded motif formed by the interacting oligomers is helical, imparting both chirality and intertwined topology to these interaction points. Because the polymer end units react with their complements through hydrogen bonding, the telechelic polymer(s) incorporating this technology are reversibly able to be processed as the bonds are first broken and then reformed. This has applications in a number of fields such as inkjet inks, adhesives, printing plates and microphase patterning of polymer surfaces.
  [FR] La présente invention concerne des polymères supramoléculaires contenant dans leur squelette des sous-unités formant des liaisons hydrogène sélectives en termes de séquence lesquelles forment des doubles hélices. L'invention permet de régler le nombre et les séquences d'unités donneurs/accepteurs incorporées dans n'importe quelle sous-unité formant des liaisons hydrogène de réticulation et donc de régler la force de l'interaction non seulement grâce à la quantité de matière de réticulation incorporée mais également grâce à la modulation de la force des interactions de réticulation. L'invention permet également l'incorporation de plus d'un type d'agent de réticulation dans la matière permettant de multiples forces de réticulation qui sont chacune réglables en ce qui concerne la rupture par un solvant, la température et une contrainte. La force des liaisons hydrogène entre les chaînes oligomériques peut être ajustée via des modifications du nombre et des séquences des donneurs/accepteurs dans les oligomères. Les oligomères sont spécifiques en termes de séquence et ne formeront généralement des liaisons hydrogène qu'avec des chaînes oligomériques qui sont composées d'un ensemble complémentaire de donneurs/accepteurs. Le motif lié par des liaisons hydrogène formé par les oligomères interagissant est hélicoïdal, ce qui confère à la fois une chiralité et une topologie entrelacée à ces points d'interaction. Étant donné que les unités terminales des polymères réagissent avec leurs compléments via des liaisons hydrogène, le ou les polymères téléchéliques incorporant cette technologie peuvent être transformés réversiblement dans la mesure où les liaisons sont d'abord cassées et ensuite reformées. Cette invention trouve des applications dans un certain nombre de domaines tels que les encres pour impression par jet d'encre, les adhésifs, les plaques d'impression et l'impression par séparation de microphases sur des surfaces de polymères.
• A Self-Associating ADADA Hydrogen-Bonded Double Helix
  作者：Jiaxin Li、James A. Wisner、Michael C. Jennings

  DOI：10.1021/ol071171c

  日期：2007.8.1

  We report the design, synthesis, and characterization of an oligomer which incorporates a non-coplanar ADADA (hydrogen bond donor/acceptor) array within its structure. The molecule associates through self-complementary hydrogen bonding to form a dimeric double-helical complex.