1H,1'H-[3,3']biindazolyl | 28228-83-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: 1H,1'H-[3,3']biindazolyl
• 英文别名: 3,3'-biindazolyl；1H,1'H-[3,3']biindazolyl；3,3'-Bi-1H-indazol；3-(1H-indazol-3-yl)-1H-indazole
• CAS: 28228-83-3
• 化学式: C₁₄H₁₀N₄
• 分子量: 234.26
• InChiKey: CVNWBKCXFYBPCN-UHFFFAOYSA-N

物化性质

• 沸点：
  556.8±25.0 °C(Predicted)
• 密度：
  1.410±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.4
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-碘吲唑 在 copper(l) iodide 、 四(三苯基膦)钯 、 四丁基氟化铵 、 sodium t-butanolate 作用下， 以 四氢呋喃 、 乙二胺 为溶剂， 反应 2.5h， 生成 1H,1'H-[3,3']biindazolyl
  参考文献：
  名称：

  Synthetic Approaches to 3,3’-Biindolyl and 3,3’-Biindazolyl Derivatives

  摘要：

  In this paper new syntheses of 3,3'-biindolyl and 3,3'-biindazolyl derivatives are described. Formation of 3,3'-biindolyl derivatives by oxidative coupling of N-acetylindole with TeCl4 gave a good yield, while attempt to use the same reaction conditions for synthesis of 3,3'-biindazolyl derivatives failed. However, conversion of 3-haloindazole derivatives to its trimethylstannane derivative, followed by palladium-catalyzed Stille cross-coupling reaction, resulted in formation of 3,3'-biindazolyl derivatives.

  DOI：

  10.3987/com-13-s(s)17

文献信息

• COMPOUNDS AND METHODS INVOLVING STEROLS
  申请人：Warsaw Orthopedic, Inc.

  公开号：US20160159848A1

  公开（公告）日：2016-06-09

  Compounds and methods of synthesizing oxysterols are provided. The compounds and methods provided allow the oxysterol to be safely produced at a high yield. The compounds and methods provided can produce the oxysterol in a stereoselective manner.

  提供了合成醇固醇类化合物和方法。提供的化合物和方法使得醇固醇能够以高产率安全地生产。提供的化合物和方法可以以立体选择性方式产生醇固醇。
• METHODS FOR THE SEPARATION AND DETECTION OF AN OXYSTEROL
  申请人：Warsaw Orthopedic, Inc.

  公开号：US20170273990A1

  公开（公告）日：2017-09-28

  Assay methods for determining purity of a sample of a sterol are provided. These methods include providing an HPLC eluent including a sterol, other compounds related to the sterol and a mobile volatile phase; generating an aerosol of liquid droplets from the HPLC eluent; drying the liquid droplets to obtain residue particles of the sterol; contacting the residue particles of the sterol with an ion stream which applies a size-dependent electrical charge to each of the residue particles to generate an electrical signal and measuring the electrical signal to determine the purity of the sterol in the sample. The sterol can be OXY133 or OXY133 monohydrate.

  提供了用于确定甾醇样品纯度的测定方法。这些方法包括提供包含甾醇、与甾醇相关的其他化合物和移动挥发相的HPLC洗脱剂；从HPLC洗脱剂中产生液滴的气溶胶；将液滴干燥以获得甾醇的残留颗粒；将甾醇的残留颗粒与施加大小相关电荷的离子流接触，以产生电信号并测量电信号以确定样品中甾醇的纯度。该甾醇可以是OXY133或OXY133单水合物。
• POLYMORPHIC FORMS OF AN OXYSTEROL AND METHODS OF MAKING THEM
  申请人：Warsaw Orthopedic, Inc.

  公开号：US20180162900A1

  公开（公告）日：2018-06-14

  Compositions and methods for preparing OXY133 polymorphs Form C to Form I are provided. The methods include subjecting a slurry of OXY133 to conditions sufficient to convert OXY133 to the OXY133 polymorph Form C, polymorph Form D, polymorph Form E, polymorph Form F, polymorph Form G, polymorph Form H, polymorph Form I or a mixture thereof. A polymorph of OXY133 is also provided and that polymorph can be polymorph Form C, polymorph Form D, polymorph Form E, polymorph Form F, polymorph Form G, polymorph Form H, polymorph Form I or a mixture thereof. Pharmaceutical compositions including OXY133 polymorphs are also provided.

  提供了用于制备OXY133多型体C到多型体I的组合物和方法。方法包括将OXY133的悬浮液置于足以将OXY133转变为OXY133多型体C、多型体D、多型体E、多型体F、多型体G、多型体H、多型体I或二者的混合物的条件下。还提供了OXY133的多型体，该多型体可以是多型体C、多型体D、多型体E、多型体F、多型体G、多型体H、多型体I或二者的混合物。还提供了包含OXY133多型体的药物组合物。
• Fluorescent nucleobase conjugates having anionic linkers
  申请人：PE Corporation (NY)

  公开号：US20020102590A1

  公开（公告）日：2002-08-01

  Provided are nucleotide-dye conjugates and related compounds in which a dye is linked to a nucleobase directly or indirectly by an anionic linker. The anionic character of the linker is provided by one or more anionic moieties which are present in the linker, such as phosphate, phosphonate, sulfonate, and carboxylate groups. When the dye is a provided as a donor/acceptor dye pair, the anionic linker can be located between the donor and the acceptor, or between the nucleobase and either the donor or acceptor, or both. In one embodiment, conjugates of the invention provide enhanced electrophoretic mobility characteristics to sequencing fragments, e.g., for dideoxy sequencing using labeled terminators.

  提供了核苷酸染料共轭物和相关化合物，其中染料通过阴离子连接物直接或间接地与核碱基相连。连接物的阴离子性质由连接物中存在的一个或多个阴离子基团提供，例如磷酸酯基、膦酸酯基、磺酸基和羧酸基。当染料作为给体/受体染料对提供时，阴离子连接物可以位于给体和受体之间，或者位于核碱基和给体或受体之间，或两者之间。在一种实施方案中，本发明的共轭物提供了增强的电泳迁移特性，例如，用标记终止子进行二氧基测序的测序片段。
• A NOVEL AND EFFICIENT SYNTHESIS OF 3-ARYL AND 3-HETEROARYL SUBSTITUTED-1<i>H</i>-INDAZOLES AND THEIR MANNICH DERIVATIVES
  作者：Süleyman Servi、Z. Rüstem Akgün

  DOI：10.1081/scc-120014767

  日期：2002.1

  ABSTRACT A general and highly convenient procedure for the synthesis of 3-heteroaryl and 3-aryl substituted-1H-indazoles has been developed. These compounds (3a–f) were synthesized in good yield by refluxing the NaHSO3 adduct of heteroaromatic and aromatic aldehyde and phenyl hydrazine in DMF. This procedure is more general and shorter than earlier methods. Five new 3-hetero-aryl substituted-1H-indazoles

  摘要 开发了一种通用且非常方便的合成 3-杂芳基和 3-芳基取代的-1H-吲唑的方法。这些化合物 (3a-f) 通过回流 DMF 中杂芳族和芳族醛和苯肼的 NaHSO3 加合物以良好的收率合成。这个过程比早期的方法更通用和更短。合成并表征了五种新的 3-杂芳基取代-1H-吲唑。3-(1H-吡咯-2-基)-1H-吲唑 (3a) 和 3-(1H-吲哚-3-基)-1H-吲唑 (3b) 的新曼尼希衍生物由吗啉和甲醛制备而成。