5-methyl-5H-[1,3]dioxolo[4,5-f]indole | 114205-28-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 5-methyl-5H-[1,3]dioxolo[4,5-f]indole
• 英文别名: 5-methyl-[1,3]dioxolo[4,5-f]indole
• CAS: 114205-28-6
• 化学式: C₁₀H₉NO₂
• 分子量: 175.187
• InChiKey: XHAQKCGHXWHCSO-UHFFFAOYSA-N

物化性质

• 熔点：
  70-71 °C(Solv: ethanol (64-17-5))
• 沸点：
  314.7±11.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  23.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-methyl-5H-[1,3]dioxolo[4,5-f]indole 在 potassium tert-butylate 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 6.0h， 生成 3-(5-氟苯并呋喃-3-基)-4-(5-甲基-5H-[1,3]二噁唑并[4,5-f]吲哚-7-基)-1H-吡咯-2,5-二酮
  参考文献：
  名称：

  [EN] SOLID FORMS OF 3-(5-FLUOROBENZOFURAN-3-YL)-4-(5-METHYL-5H[1,3]DIOXOLO[4,5-F]INDOL-7-YL)PYRROLE-2,5-DIONE
  [FR] FORMES SOLIDES DE 3-(5-FLUOROBENZOFURAN-3-YL)-4-(5-MÉTHYL-5H[1,3]DIOXOLO[4,5-F]INDOL-7-YL)PYRROLE-2,5-DIONE

  摘要：

  本公开涉及3-(5-氟苯并呋喃-3-基)-4-(5-甲基-5H-[1,3]二氧杂环[4,5-f]吲哚-7-基)吡咯-2,5-二酮的固体形式，其制备方法，药物组合物以及在治疗疾病中的用途。

  公开号：

  WO2019032958A1
• 作为产物：
  描述：

  5H-1,3-DIOXOLO(4,5-f)INDOLE 以97的产率得到5-methyl-5H-[1,3]dioxolo[4,5-f]indole
  参考文献：
  名称：

  [EN] SOLID FORMS OF 3-(5-FLUOROBENZOFURAN-3-YL)-4-(5-METHYL-5H[1,3]DIOXOLO[4,5-F]INDOL-7-YL)PYRROLE-2,5-DIONE
  [FR] FORMES SOLIDES DE 3-(5-FLUOROBENZOFURAN-3-YL)-4-(5-MÉTHYL-5H[1,3]DIOXOLO[4,5-F]INDOL-7-YL)PYRROLE-2,5-DIONE

  摘要：

  本公开涉及3-（5-氟苯并呋喃-3-基）-4-（5-甲基-5H-[1,3]二噁英[4,5-f]吲哚-7-基）吡咯-2,5-二酮的固态形式，其制备过程，药物组成物以及其在治疗疾病中的用途。

  公开号：

  WO2019032958A1

文献信息

• [EN] SOLID FORMS OF 3-(5-FLUOROBENZOFURAN-3-YL)-4-(5-METHYL-5H-[1,3]DIOXOLO[4,5-F]INDOL-7-YL)PYRROLE-2,5-DIONE<br/>[FR] FORMES SOLIDES DE 3-(5-FLUOROBENZOFURAN-3-YL)-4-(5-MÉTHYL-5H-[1,3]DIOXOLO[4,5-F]INDOL-7-YL)PYRROLE-2,5-DIONE
  申请人：ACTUATE THERAPEUTICS INC

  公开号：WO2019079299A1

  公开（公告）日：2019-04-25

  The present disclosure relates to solid forms of 3-(5-Fluorobenzofuran-3-yl)-4-(5-methyl-5H-[1,3]dioxolo[4,5-f]indol-7-yl) pyrrole-2,5-dione, processes for preparation thereof, pharmaceutical compositions thereof, and uses thereof in treating disease.

  本公开涉及3-(5-氟苯并呋喃-3-基)-4-(5-甲基-5H-[1,3]二氧杂环[4,5-f]吲哚-7-基)吡咯-2,5-二酮的固体形式，其制备方法，药物组合物以及在治疗疾病中的用途。
• Copper-Catalyzed Synthesis of Indolyl Benzo[<i>b</i>]carbazoles and Their Photoluminescence Property
  作者：Tonggang Hao、Long Huang、Yin Wei、Min Shi

  DOI：10.1021/acs.orglett.1c01659

  日期：2021.7.2

  dihydroisobenzofurans with indoles for the rapid construction of indoly benzo[b]carbazoles has been reported, providing the desired products in moderate to good yields under mild conditions along with a broad substrate scope and good functional group tolerance. The photoluminescence property of these indoly benzo[b]carbazoles has also been investigated.

  已经报道了铜催化的二氢异苯并呋喃与吲哚的级联环化反应，用于快速构建吲哚苯并[ b ]咔唑，在温和条件下以中等至良好的产率提供所需的产物，同时具有广泛的底物范围和良好的官能团耐受性。还研究了这些吲哚苯并[ b ]咔唑的光致发光特性。
• [EN] POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY<br/>[FR] COMPOSÉ POLYMÉRISABLE ET CORPS OPTIQUEMENT ANISOTROPE
  申请人：DAINIPPON INK & CHEMICALS

  公开号：WO2017079867A1

  公开（公告）日：2017-05-18

  There is provided a polymerizable composition, by which discoloration or alignment defects are less likely to occur when a filmy polymer, which is obtained by adding a polymerizable compound to the polymerizable composition and polymerizing this composition, is irradiated with ultraviolet light. There are also provided a polymer obtained by polymerizing the polymerizable composition, and an optically anisotropic body using the polymer. The present invention provides a polymerizable low-wavelength dispersive or polymerizable reverse-wavelength dispersive compound having a partial structure represented by Formula (Z-0). Further, the present invention provides a composition containing the compound; a polymer obtained by polymerizing the composition; and an optically anisotropic body obtained by using the polymer.

  提供一种可聚合的组合物，通过该组合物得到的薄膜聚合物在紫外光照射时，不太容易发生变色或排列缺陷。还提供了通过聚合该聚合物组合物得到的聚合物，以及使用该聚合物的光学各向异性体。本发明提供了一种具有由式（Z-0）表示的部分结构的可聚合低波长色散或可聚合反波长色散化合物。此外，本发明提供了一种含有该化合物的组合物；通过聚合该组合物得到的聚合物；以及通过使用该聚合物得到的光学各向异性体。
• Cascade of C(sp²)–H Addition to Carbonyl and C(sp²)–CN/C(sp²)–H Coupling Enabled by Brønsted Acid: Construction of Benzo[<i>a</i>]carbazole Frameworks
  作者：Ling Tang、Shuangshuang Jiang、Xinmiao Huang、Zhiyong Song、Jian-bo Wang、Ming Ma、Bo Chen、Yuanhong Ma

  DOI：10.1021/acs.orglett.2c01027

  日期：2022.5.6

  C(sp2)–H addition to carbonyl and the C(sp2)–CN/C(sp2)–H coupling of 2-(2-oxo-2-arylethyl)benzonitriles with indoles enabled by commercially available TsOH·H2O. The protocol represents the first metal-free C(sp2)–CN/C(sp2)–H coupling, affording a new route for the synthesis of various benzo[a]carbazole derivatives with a broad substrate scope, high yields, and simple conditions.

  在此，我们报道了一个前所未有的 C(sp 2 )-H 加成羰基的级联反应和2-(2-oxo-2-arylethyl)benzonitros的 C(sp 2 )-CN/C(sp 2 )-H 偶联反应。通过市售的 TsOH·H 2 O 实现吲哚。该方案代表了第一个无金属 C(sp 2 )-CN/C(sp 2 )-H 偶联，为合成各种苯并[ a ]提供了新途径咔唑衍生物底物范围广、收率高、条件简单。
• Heterocyclic substituted pyrazolones
  申请人：Cephalon, Inc.

  公开号：US20030162775A1

  公开（公告）日：2003-08-28

  The present invention is directed to novel heterocyclic substituted pyrazolones, including pharmaceutical compositions, diagnostic kits, assay standards or reagents containing the same, and methods of using the same as therapeutics. The invention is also directed to intermediates and processes for making these novel compounds.

  本发明涉及新型杂环取代吡唑酮，包括含有这些化合物的药物组合物、诊断试剂盒、检测标准或试剂，并将其用作治疗方法。本发明还涉及制备这些新型化合物的中间体和方法。