5,6-dimethyl-2-vinyl-1H-benzimidazole | 136616-63-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 5,6-dimethyl-2-vinyl-1H-benzimidazole
• 英文别名: 2-ethenyl-5,6-dimethyl-1H-1,3-benzodiazole；5,6-Dimethyl-2-vinyl-1H-benzo[d]imidazole；2-ethenyl-5,6-dimethyl-1H-benzimidazole
• CAS: 136616-63-2
• 化学式: C₁₁H₁₂N₂
• mdl: MFCD18807588
• 分子量: 172.23
• InChiKey: ZBROKEOFSJLGFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-(2-aminoethyl)-N-[(3-fluoropyridin-2-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine 、 5,6-dimethyl-2-vinyl-1H-benzimidazole 在 ammonium acetate 作用下， 以 乙腈 为溶剂， 反应 12.0h， 以16%的产率得到2-(2-{[2-(5,6-dimethyl-1H-1,3-benzodiazol-2-yl)ethyl]amino}ethyl)-N-[(3-fluoropyridin-2-yl)methyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
  参考文献：
  名称：

  FERROPORTIN INHIBITORS AND METHODS OF USE

  摘要：

  本文描述的主题是关于Formula I的Ferroportin抑制剂化合物及其制药盐，制备这些化合物的方法，包含这些化合物的制药组合物以及为预防和/或治疗由于缺乏hepcidin或铁代谢紊乱引起的疾病而给予这些化合物的方法，尤其是铁过载状态，如地中海贫血、镰状细胞病和血色沉着症。

  公开号：

  US20200190045A1
• 作为产物：
  描述：

  tetrafluoro-l4-borane, 1-(2-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)ethyl)-4-(dimethylamino)pyridin-1-ium salt 在 anion exchange Amberlite resin IRA-401 (OH- form) 作用下， 以 乙醇 为溶剂， 生成 5,6-dimethyl-2-vinyl-1H-benzimidazole
  参考文献：
  名称：

  An efficient synthesis of 2-vinylbenzimidazoles from 1-(2-(benzimidazol-2-ylethyl)pyridinium salts using an anion-exchange resin

  摘要：

  Transformation of several 1-(2-benzimidazol-2-ylethyl)pyridinium salts, obtained by two different procedures, into their corresponding 2-vinylbenzimidazoles either using an anion-exchange resin (OH- form) or in the solid state is described. This approach now allows a facile entry into the almost unknown 2-vinylbenzimidazole monomers.

  DOI：

  10.1021/jo00023a013

文献信息

• Heterocyclic Betaines. Novel Ethyleneimidazolium Benzimidazolate Inner Salts. Synthesis, Characterization, and Transformation into 2-Vinyl-1<i>H</i>-benzimidazoles
  作者：Ermitas Alcalde、Maria Gisbert、Lluïsa Pérez-Garcia

  DOI：10.1246/cl.1992.2357

  日期：1992.12

  The first synthesis of the hitherto unknown ethyleneimidazolium benzimidazolate inner salts is described. Their dipolar structure is well reflected on the basis of the 1H and 13C NMR parameters. Under neutral and mild conditions the title compounds underwent a type of β-elimination, affording their corresponding 2-vinyl-1H-benzimidazoles in high yields.

  描述了迄今为止未知的亚乙基咪唑鎓苯并咪唑内盐的首次合成。它们的偶极结构在 1H 和 13C NMR 参数的基础上得到了很好的反映。在中性和温和条件下，标题化合物经历了一种β-消除，以高产率提供了相应的 2-乙烯基-1H-苯并咪唑。
• RESIN COMPOSITION FOR OPTICAL MOLDING
  申请人：Kuraray Noritake Dental Inc.

  公开号：EP3900693A1

  公开（公告）日：2021-10-27

  The present invention provides a resin composition for optical shaping that emits a weaker odor, enables easy fabrication of an object by virtue of its low viscosity, and can be made into a fabricated product having desirable toughness and water resistance when used for stereolithographic fabrication (particularly by vat stereolithography) and that is particularly suited for dental occlusal splints, mouth guards, and denture base materials. The present invention relates to a resin composition for optical shaping comprising: an α,β-unsaturated double bond group-containing compound (A) having a ring structure (a) containing a nitrogen atom; a (meth)acrylic acid ester compound (B) having a boiling point of 280°C or more at normal pressure, having a carbocyclic group, and having no nitrogen-containing heterocyclic group; a photopolymerization initiator (C); and optionally, a polyfunctional polymerizable monomer (E) having a molecular weight of 500 or less and not comprised in the α,β-unsaturated double bond group-containing compound (A) and the (meth)acrylic acid ester compound (B), wherein the content of the polyfunctional polymerizable monomer (E) having a molecular weight of 500 or less is 20 mass% or less relative to the total amount of polymerizable compounds comprised in the resin composition for optical shaping.

  本发明提供了一种用于光学整形的树脂组合物，该组合物散发的气味较弱，因其粘度低而易于制造物体，在用于立体光刻制造（特别是大桶立体光刻）时，可制成具有理想韧性和耐水性的制成品，特别适用于牙科咬合夹板、护齿板和义齿基底材料。本发明涉及一种用于光学塑形的树脂组合物，包括具有含氮原子的环结构 (a) 的含 α、β-不饱和双键基团的化合物 (A)；(甲基) 丙烯酸酯化合物 (B)，在常压下的沸点为 280°C 或更高，具有碳环基团，且不含含氮杂环基团；光聚合引发剂 (C)；以及可选的分子量为 500 或以下且不包含在含α，β-不饱和双键基团的化合物（A）和（甲基）丙烯酸酯化合物（B）中的多功能可聚合单体（E），其中分子量为 500 或以下的多功能可聚合单体（E）的含量占光学成型用树脂组合物中可聚合化合物总量的 20% 或以下。
• Synthesis of Dipolar Ethyleneimidazolium Benzimidazolate Inner Salts and Their Transformation to 2-Vinylbenzimidazoles through a Type of b-Elimination Reaction
  作者：Ermitas Alcalde、Maria Gisbert、Lluïsa Pérez-Garcia

  DOI：10.3987/com-95-7294

  日期：——

  The synthesis and spectroscopic properties of the fairly stable title inner salts (5) are reported. For several of the betaines (5), both the highly dipolar character due to the terminal rings and the nature of the spacer promoted a type of beta-elimination reaction. Thus, formation of 2-vinylbenzimidazoles (7) from the corresponding betaines (5) proceeds in high yield under neutral and mild conditions. Following similar treatment, the 1-(2-benzimidazol-2-ylethyl)imidazolium salt (8b) undergo nucleophilic substitution reactions.
• RESIN COMPOSITION FOR OPTICAL SHAPING
  申请人：KURARAY NORITAKE DENTAL INC.

  公开号：US20220041777A1

  公开（公告）日：2022-02-10

  A resin composition for optical shaping comprising: an α,β-unsaturated double bond group-containing compound (A) having a ring structure (a) containing a nitrogen atom; a (meth)acrylic acid ester compound (B) having a boiling point of 280° C. or more at normal pressure, having a carbocyclic group, and having no nitrogen-containing heterocyclic group; a photopolymerization initiator (C); and optionally, a polyfunctional polymerizable monomer (E) having a molecular weight of 500 or less and not comprised in the α,β-unsaturated double bond group-containing compound (A) and the (meth)acrylic acid ester compound (B), wherein the content of the polyfunctional polymerizable monomer (E) having a molecular weight of 500 or less is 20 mass % or less relative to the total amount of polymerizable compounds comprised in the resin composition for optical shaping.
• [EN] RESIN COMPOSITION FOR OPTICAL MOLDING<br/>[FR] COMPOSITION DE RÉSINE POUR MOULAGE OPTIQUE<br/>[JA] 光造形用樹脂組成物
  申请人：KURARAY NORITAKE DENTAL INC

  公开号：WO2020129736A1

  公开（公告）日：2020-06-25

  本発明は、光造形（特に液槽光造形）によって造形したときに、臭気が少なく、低粘度で造形しやすく、かつ靭性及び耐水性に優れた造形物を得ることができ、特に歯科用咬合スプリント、マウスガード、義歯床材料に好適な光造形用樹脂組成物を提供する。本発明は、窒素原子を含有する環状構造（ａ）を有するα，β－不飽和二重結合基含有化合物（Ａ）、常圧沸点２８０℃以上で、炭素環基を有し、含窒素複素環基を有しない（メタ）アクリル酸エステル化合物（Ｂ）、光重合開始剤（Ｃ）、並びに、必要に応じて、前記α，β－不飽和二重結合基含有化合物（Ａ）及び前記（メタ）アクリル酸エステル化合物（Ｂ）に含まれない、分子量５００以下の多官能性重合性単量体（Ｅ）を含有し、前記分子量５００以下の多官能性重合性単量体（Ｅ）の含有量が、光造形用樹脂組成物に含まれる重合性化合物の総量に対して２０質量％以下である、光造形用樹脂組成物に関する。