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3,3,3',3'-Tetramethyl-1,1'-spirobi(indan)-5,5'-diiodo-6,6'-diol

中文名称
——
中文别名
——
英文名称
3,3,3',3'-Tetramethyl-1,1'-spirobi(indan)-5,5'-diiodo-6,6'-diol
英文别名
6,6'-diiodo-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol
3,3,3',3'-Tetramethyl-1,1'-spirobi(indan)-5,5'-diiodo-6,6'-diol化学式
CAS
——
化学式
C21H22I2O2
mdl
——
分子量
560.213
InChiKey
WAPOQQAKVDHZNM-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    7.1
  • 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

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为产物:
    描述:
    螺双茚满一氯化碘 作用下, 以 二氯甲烷溶剂黄146 为溶剂, 反应 3.0h, 以95%的产率得到3,3,3',3'-Tetramethyl-1,1'-spirobi(indan)-5,5'-diiodo-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
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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。
  • Compound of 3,3,3′,3′-tetramethyl-1,1′-spirobiindane-based phosphine ligand, and preparation method thereof
    申请人:ZHEJIANG UNIVERSITY
    公开号:US11530230B2
    公开(公告)日:2022-12-20
    The present application discloses a 3,3,3′,3′-tetramethyl-1,1′-spirobiindane-based phosphine ligand, an intermediate, a preparation method and uses thereof. The compound of phosphine ligand is a compound having a structure represented by formula I or formula II, or an enantiomer, a raceme, or diastereomer thereof. The phosphine ligand can be prepared via a preparation scheme in which the cheap and easily available 6,6′-dihydroxyl-3,3,3′,3′-tetramethyl-1,1′-spirobiindane is used as a raw material and the compound represented by formula III serves as the key intermediate. The new phosphine ligand developed by the present application can be used in catalytic organic reaction, in particular as a chiral phosphine ligand that is widely used in many asymmetric catalytic reactions including asymmetric hydrogenation and asymmetric allyl alkylation, and thus it has economic practicability and industrial application prospect.
    本申请公开了一种 3,3,3′,3′-四甲基-1,1′-螺双茚满基膦配体、中间体、制备方法及其用途。膦配体化合物是具有式 I 或式 II 所代表结构的化合物,或其对映体、外消旋体或非对映异构体。膦配体可以通过一种制备方案来制备,在该方案中,廉价易得的 6,6′-二羟基-3,3,3′,3′-四甲基-1,1′-螺生物茚满用作原料,式 III 所代表的化合物用作关键中间体。本申请开发的新型膦配体可用于催化有机反应,特别是作为手性膦配体广泛应用于不对称氢化、不对称烯丙基烷基化等多种不对称催化反应,具有经济实用性和工业应用前景。
  • 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。
  • COMPOUND OF 3,3,3',3'-TETRAMETHYL-1,1'-SPIROBIINDANE-BASED PHOSPHINE LIGAND, AND PREPARATION METHOD THEREOF
    申请人:ZHEJIANG UNIVERSITY
    公开号:US20210163514A1
    公开(公告)日:2021-06-03
    The present application discloses a 3,3,3′,3′-tetramethyl-1,1′-spirobiindane-based phosphine ligand, an intermediate, a preparation method and uses thereof. The compound of phosphine ligand is a compound having a structure represented by formula I or formula II, or an enantiomer, a raceme, or diastereomer thereof. The phosphine ligand can be prepared via a preparation scheme in which the cheap and easily available 6,6′-dihydroxyl-3,3,3′,3′-tetramethyl-1,1′-spirobiindane is used as a raw material and the compound represented by formula III serves as the key intermediate. The new phosphine ligand developed by the present application can be used in catalytic organic reaction, in particular as a chiral phosphine ligand that is widely used in many asymmetric catalytic reactions including asymmetric hydrogenation and asymmetric allyl alkylation, and thus it has economic practicability and industrial application prospect.
  • 7,7'-DIHALO-3,3,3',3'-TETRAMETHYL-1,1'-SPIROBIINDANE AND PREPARATION METHOD THEREOF
    申请人:ZHEJIANG UNIVERSITY
    公开号:US20220213011A1
    公开(公告)日:2022-07-07
    Disclosed are 7,7′-dihalo-3,3,3′,3′-tetramethyl-1,1′-spirobiindane and a preparation method thereof. The 7,7′-dihalo-3,3,3′,3′-tetramethyl-1,1′-spirobiindane is a compound represented by formula I, or an enantiomer, a raceme or a diastereomer thereof. The compound of formula I could be prepared by using a racemic or optically active 3,3,3′,3′-tetramethyl-1,1′-spirobiindane-6,6′-diol as a raw material through a series of reactions. The 7,7′-dihalo-3,3,3′,3′-tetramethyl-1,1′-spirobiindane is a key intermediate for preparing 3,3,3′,3′-tetramethyl-1,1′-spirobiindane-based phosphine ligand compounds represented by formula II or III.
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