3,3,3',3'-Tetramethyl-1,1'-spirobi(indan)-5,5'-dibromo-6,6'-diol | 237058-95-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 3,3,3',3'-Tetramethyl-1,1'-spirobi(indan)-5,5'-dibromo-6,6'-diol
• 英文别名: 6,6'-dibromo-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol
• CAS: 237058-95-6
• 化学式: C₂₁H₂₂Br₂O₂
• 分子量: 466.212
• InChiKey: CIJFECHCVAAGIQ-UHFFFAOYSA-N

物化性质

• 熔点：
  216-218 °C
• 沸点：
  497.6±45.0 °C(Predicted)
• 密度：
  1.66±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  25
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 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：

  3,3,3',3'-Tetramethyl-1,1'-spirobi(indan)-5,5'-dibromo-6,6'-diol 在 吡啶 、 氯磺酸 作用下， 生成 3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-5,5'-dibromo-6,6'-diol disulfate
  参考文献：
  名称：

  A New Class of HIV-1 Integrase Inhibitors:  The 3,3,3‘,3‘-Tetramethyl-1,1‘-spirobi(indan)-5,5‘,6,6‘-tetrol Family

  摘要：

  Integration is a required step in HIV replication, but as yet no inhibitors of the integration step have been developed for clinical use. Many inhibitors have been identified that are active against purified viral-encoded integrase protein; of these many contain a catechol moiety. Though this substructure contributes potency in inhibitors, it is associated with toxicity and so the utility of catechol-containing inhibitors has been questioned. We have synthesized and tested a systematic series of derivatives of a catechol-containing inhibitor (1) with the goal of identifying catechol isosteres that support inhibition. We find that different patterns of substitution on the aromatic ring suffice for inhibition when Mn2+ is used as a cofactor. Importantly, the efficiency is different when Mg2+, the more likely in vivo cofactor, is used. These data emphasize the importance of assays with Mg2+ and offer new catechol isosteres for use in integrase inhibitors.

  DOI：

  10.1021/jm990600c
• 作为产物：
  描述：

  螺双茚满 在 溴 作用下， 以 氯仿 为溶剂， 反应 2.0h， 以96%的产率得到3,3,3',3'-Tetramethyl-1,1'-spirobi(indan)-5,5'-dibromo-6,6'-diol
  参考文献：
  名称：

  A New Class of HIV-1 Integrase Inhibitors:  The 3,3,3‘,3‘-Tetramethyl-1,1‘-spirobi(indan)-5,5‘,6,6‘-tetrol Family

  摘要：

  Integration is a required step in HIV replication, but as yet no inhibitors of the integration step have been developed for clinical use. Many inhibitors have been identified that are active against purified viral-encoded integrase protein; of these many contain a catechol moiety. Though this substructure contributes potency in inhibitors, it is associated with toxicity and so the utility of catechol-containing inhibitors has been questioned. We have synthesized and tested a systematic series of derivatives of a catechol-containing inhibitor (1) with the goal of identifying catechol isosteres that support inhibition. We find that different patterns of substitution on the aromatic ring suffice for inhibition when Mn2+ is used as a cofactor. Importantly, the efficiency is different when Mg2+, the more likely in vivo cofactor, is used. These data emphasize the importance of assays with Mg2+ and offer new catechol isosteres for use in integrase inhibitors.

  DOI：

  10.1021/jm990600c

文献信息

• A polycarbonate copolymer and applications thereof
  申请人：MITSUI CHEMICALS, INC.

  公开号：EP0926180A2

  公开（公告）日：1999-06-30

  A polycarbonate copolymer comprising the repeating structural unit represented by general formula (1-a) and at least one of the repeating structural units represented by general formulas (2-a) and (3-a) is provided. It may be used for optical components.

  提供一种聚碳酸酯共聚物，它包含通式（1-a）所代表的重复结构单元和通式（2-a）和（3-a）所代表的至少一种重复结构单元。 它可用于光学元件。
• Optical unit using plastic lenses
  申请人：Suzuki Fumiyuki

  公开号：US20060046065A1

  公开（公告）日：2006-03-02

  The present invention provides an optical unit for high-resolution applications all lenses in which are made of plastics. The optical unit includes lens ( 1 ) and ( 2 ). The lens ( 1 ) is a plastic lens having an Abbe number of 45-60. The lens ( 2 ) is a lens injection molded from a polycarbonate material comprising a structure derived from spirobiindan and having a glass transition temperature of 120-150° C.

  本发明提供了一种用于高分辨率应用的光学装置，其所有透镜均由塑料制成。光学单元包括透镜 ( 1 )和( 2 ).透镜 ( 1 ) 是一个阿贝数为 45-60 的塑料透镜。透镜 ( 2 )是由聚碳酸酯材料注塑而成的镜片，这种材料的结构来源于螺纹茚满，玻璃化温度为 120-150 摄氏度。
• PROCESS FOR PREPARING ENANTIOMERICALLY PURE 1,1'-SPIROBIINDANE-6,6'-DIOL DERIVATIVES
  申请人：Industrial Technology Research Institute

  公开号：EP1768943B1

  公开（公告）日：2008-12-17
• US6028161A
  申请人：——

  公开号：US6028161A

  公开（公告）日：2000-02-22
• US7214834B2
  申请人：——

  公开号：US7214834B2

  公开（公告）日：2007-05-08